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

C17H18N6 — CID 126485149

IUPAC4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1NCc1cc2c(ncn2C)c(N)n1
InChIInChI=1S/C17H18N6/c1-3-12-6-11(8-18)4-5-14(12)20-9-13-7-15-16(17(19)22-13)21-10-23(15)2/h4-7,10,20H,3,9H2,1-2H3,(H2,19,22)
InChIKeyLRBKPKXAARXUJK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.60
Rot. Bonds4

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

4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile (PubChem CID 126485149) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile
PubChem CID126485149
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1NCc1cc2c(ncn2C)c(N)n1
InChIInChI=1S/C17H18N6/c1-3-12-6-11(8-18)4-5-14(12)20-9-13-7-15-16(17(19)22-13)21-10-23(15)2/h4-7,10,20H,3,9H2,1-2H3,(H2,19,22)
InChIKeyLRBKPKXAARXUJK-UHFFFAOYSA-N
XLogP2.60
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.60
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)amino]-3-ethylbenzonitrile
CID 145234585
1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
CID 67607206
4-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 104711813
5-[[4-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyridine-2-carbonitrile
CID 126485146
4-[(7-amino-3-methylbenzimidazol-5-yl)-methylamino]-3-fluorobenzonitrile
CID 118246150
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]methylamino]-4-methylpyridine-2-carbonitrile
CID 138560443
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-nitrobenzonitrile
CID 115886953
3-fluoro-4-[[3-methyl-7-[methyl(methylphosphanyl)amino]benzimidazol-5-yl]amino]benzonitrile
CID 138646648
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795
2-[4-cyano-2-(trifluoromethoxy)phenyl]-N-(1-methylbenzimidazol-4-yl)ethanethioamide
CID 162072335
methyl N-(4-cyano-2-ethylphenyl)carbamate
CID 154930446

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile?
The IUPAC name of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile (CID 126485149) is 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile.
What is the SMILES notation for 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile?
The canonical SMILES for 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile is CCc1cc(C#N)ccc1NCc1cc2c(ncn2C)c(N)n1.
What is the InChIKey of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile?
The InChIKey is LRBKPKXAARXUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-12-6-11(8-18)4-5-14(12)20-9-13-7-15-16(17(19)22-13)21-10-23(15)2/h4-7,10,20H,3,9H2,1-2H3,(H2,19,22).
What are the key properties of 4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile?
4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)methylamino]-3-ethylbenzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.60, 4 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)methylamino]-3-ethylbenzonitrile is sourced from PubChem (CID 126485149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).