Similar Compounds for PubChem Compound (Select 152042563) - PubChem Compound - NCBI

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Select item 671205851.

an image of a chemical structure CID 67120585

SCHEMBL1684002; 4-(methylnitroamino)-1-(3-pyridyl)-1-butanone

MW:: 223.230
MF:: C₁₀H₁₃N₃O₃

IUPAC name:: N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitramide

Create Date:: 2012-11-30

CID:: 67120585

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 51512002.

an image of a chemical structure CID 5151200

424788-94-3; [5-(Methylnitrosamino)-1-(3-pyridyl)-1-pentanone; N-methyl-N-(5-oxo-5-pyridin-3-ylpentyl)nitrous amide ...

MW:: 221.260
MF:: C₁₁H₁₅N₃O₂

IUPAC name:: N-methyl-N-(5-oxo-5-pyridin-3-ylpentyl)nitrous amide

Create Date:: 2005-09-26

CID:: 5151200

Summary Similar Compounds Same Parent, Connectivity

Select item 1414539663.

an image of a chemical structure CID 141453966

MW:: 208.240
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-(3-deuterio-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous ami...

Create Date:: 2019-12-06

CID:: 141453966

Summary Similar Compounds Same Parent, Connectivity

Select item 1413674744.

an image of a chemical structure CID 141367474

MW:: 221.260
MF:: C₁₁H₁₅N₃O₂

IUPAC name:: N-ethyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide

Create Date:: 2019-12-06

CID:: 141367474

Summary Similar Compounds Same Parent, Connectivity

Select item 717505325.

an image of a chemical structure CID 71750532

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone-13C6; 1346600-19-8

MW:: 213.190
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-methyl-N-(4-oxo-4-(2,3,4,5,6-13C5)pyridin-3-yl(413C)butyl)...

Create Date:: 2013-11-01

CID:: 71750532

Summary Similar Compounds Same Parent, Connectivity

Select item 121471676.

an image of a chemical structure CID 12147167

764661-24-7; 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone; NNK-d4 ...

MW:: 211.250
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-methyl-N-[4-oxo-4-(2,4,5,6-tetradeuteriopyridin-3-yl)butyl...

Create Date:: 2007-02-07

CID:: 12147167

Summary Similar Compounds Same Parent, Connectivity

Select item 69135117.

an image of a chemical structure CID 6913511

86270-92-0; 4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone; NNK-d3 ...

MW:: 210.250
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-(4-oxo-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous a...

Create Date:: 2006-07-04

CID:: 6913511

Summary Similar Compounds Same Parent, Connectivity

Select item 69135108.

an image of a chemical structure CID 6913510

1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-; 86270-91-9; 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone-4,4-d2 ...

MW:: 209.240
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-(1,1-dideuterio-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous...

Create Date:: 2006-07-04

CID:: 6913510

Summary Similar Compounds Same Parent, Connectivity

Select item 472899.

an image of a chemical structure CID 47289

64091-91-4; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone ...

MW:: 207.230
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide

Create Date:: 2004-09-16

CID:: 47289

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 8777267010.

an image of a chemical structure CID 87772670

MW:: 207.230
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-methyl-N-(4-oxo-4-pyridin-3-ylbutan-2-yl)nitrous amide

Create Date:: 2015-02-12

CID:: 87772670

Summary Similar Compounds Same Parent, Connectivity

Select item 8727577211.

an image of a chemical structure CID 87275772

MW:: 269.260
MF:: C₁₀H₁₅N₅O₄

IUPAC name:: N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitramide;nitrous amid...

Create Date:: 2015-02-12

CID:: 87275772

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 15462148812.

an image of a chemical structure CID 154621488

MW:: 187.220
MF:: C₁₁H₁₁N₂O^-

IUPAC name:: [3-methyl-2-(pyridine-3-carbonyl)but-1-enylidene]azanide

Create Date:: 2020-09-28

CID:: 154621488

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 13433484713.

an image of a chemical structure CID 134334847

SCHEMBL19958136

MW:: 205.260
MF:: C₁₁H₁₅N₃O

IUPAC name:: 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one

Create Date:: 2018-06-23

CID:: 134334847

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 8800353814.

an image of a chemical structure CID 88003538

MW:: 193.220
MF:: C₁₀H₁₃N₂O₂⁺

IUPAC name:: methyl-oxo-(4-oxo-4-pyridin-3-ylbutyl)azanium

Create Date:: 2015-02-12

CID:: 88003538

Summary Similar Compounds Same Parent, Connectivity

Select item 8777253115.

an image of a chemical structure CID 87772531

MW:: 333.130
MF:: C₁₀H₁₂IN₃O₂

IUPAC name:: N-(3-iodo-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide

Create Date:: 2015-02-12

CID:: 87772531

Summary Similar Compounds Same Parent, Connectivity

Select item 6925877816.

an image of a chemical structure CID 69258778

MW:: 194.190
MF:: C₉H₁₀N₂O₃

IUPAC name:: 4-nitro-1-pyridin-3-ylbutan-1-one

Create Date:: 2012-12-01

CID:: 69258778

Summary Similar Compounds Same Parent, Connectivity

Select item 5951193117.

an image of a chemical structure CID 59511931

1-Butanone, 3,3-dimethyl-4-nitro-1-(3-pyridinyl)-; SCHEMBL3570804; 914954-57-7 ...

MW:: 222.240
MF:: C₁₁H₁₄N₂O₃

IUPAC name:: 3,3-dimethyl-4-nitro-1-pyridin-3-ylbutan-1-one

Create Date:: 2012-08-20

CID:: 59511931

Summary Similar Compounds Same Parent, Connectivity

Select item 5697354218.

an image of a chemical structure CID 56973542

MW:: 208.240
MF:: C₁₀H₁₄N₃O₂^-

IUPAC name:: 4-[methyl-(oxidoamino)amino]-1-pyridin-3-ylbutan-1-one

Create Date:: 2012-06-07

CID:: 56973542

Summary Similar Compounds Same Parent, Connectivity

Select item 5444528819.

an image of a chemical structure CID 54445288

MW:: 207.230
MF:: C₁₀H₁₃N₃O₂

IUPAC name:: N-methyl-N-(1-oxo-1-pyridin-3-ylbutan-2-yl)nitrous amide

Create Date:: 2011-12-04

CID:: 54445288

Summary Similar Compounds Same Parent, Connectivity

Select item 2256868220.

an image of a chemical structure CID 22568682

SCHEMBL420028; nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone

MW:: 253.260
MF:: C₁₀H₁₅N₅O₃

IUPAC name:: N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide;nitrous ...

Create Date:: 2007-12-05

CID:: 22568682

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

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Chemical Properties

Rule of 5 (317)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

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Compounds identified as active in screening experiments

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Protein 3D Structures (3)
Compounds bound to proteins in atructure biology experiments

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Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (6)
Compounds involved in biological pathways

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