4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile

C16H16N6 — CID 145234585

IUPAC4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1Nc1cc2c(ncn2C)c(N)n1
InChIInChI=1S/C16H16N6/c1-3-11-6-10(8-17)4-5-12(11)20-14-7-13-15(16(18)21-14)19-9-22(13)2/h4-7,9H,3H2,1-2H3,(H3,18,20,21)
InChIKeyMOPCSYZGWMOXON-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.73
Rot. Bonds3

About 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile

4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile (PubChem CID 145234585) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
PubChem CID145234585
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1Nc1cc2c(ncn2C)c(N)n1
InChIInChI=1S/C16H16N6/c1-3-11-6-10(8-17)4-5-12(11)20-14-7-13-15(16(18)21-14)19-9-22(13)2/h4-7,9H,3H2,1-2H3,(H3,18,20,21)
InChIKeyMOPCSYZGWMOXON-UHFFFAOYSA-N
XLogP2.73
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile
CID 126485149
5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile
CID 126485146
N-[6-(2-ethyl-4-fluoroanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 126494685
3-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80908717
4-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877571
5-[[4-[bis[(4-methoxyphenyl)methyl]amino]-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-6-chloro-4-ethylpyridine-2-carbonitrile
CID 126485236
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]-4-ethylpyridine-2-carbonitrile
CID 138560012
3-fluoro-4-[[3-methyl-7-[methyl(methylphosphanyl)amino]benzimidazol-5-yl]amino]benzonitrile
CID 138646648
cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen
CID 145234568
1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
CID 67607206
4-[(7-amino-3-methylbenzimidazol-5-yl)-methylamino]-3-fluorobenzonitrile
CID 118246150
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80950260

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile?
The IUPAC name of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile (CID 145234585) is 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile.
What is the SMILES notation for 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile?
The canonical SMILES for 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile is CCc1cc(C#N)ccc1Nc1cc2c(ncn2C)c(N)n1.
What is the InChIKey of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile?
The InChIKey is MOPCSYZGWMOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-3-11-6-10(8-17)4-5-12(11)20-14-7-13-15(16(18)21-14)19-9-22(13)2/h4-7,9H,3H2,1-2H3,(H3,18,20,21).
What are the key properties of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile?
4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile has a molecular weight of 292.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile is sourced from PubChem (CID 145234585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).