4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile

C16H14N4 — CID 82150674

IUPAC4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
SMILESCc1cnc2c(c1)nc(C)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C16H14N4/c1-11-7-15-16(18-9-11)20(12(2)19-15)10-14-5-3-13(8-17)4-6-14/h3-7,9H,10H2,1-2H3
InChIKeyGHFXRZINLYXZDU-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.97
Rot. Bonds2

About 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile

4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile (PubChem CID 82150674) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
PubChem CID82150674
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
SMILESCc1cnc2c(c1)nc(C)n2Cc1ccc(C#N)cc1
InChIInChI=1S/C16H14N4/c1-11-7-15-16(18-9-11)20(12(2)19-15)10-14-5-3-13(8-17)4-6-14/h3-7,9H,10H2,1-2H3
InChIKeyGHFXRZINLYXZDU-UHFFFAOYSA-N
XLogP2.97
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150679
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
4-[[5-(2,6-diamino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]methyl]benzonitrile
CID 135335878
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
5-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]furan-2-carboxylic acid
CID 82061776
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile
CID 157179855
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile (CID 82150674) is 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile is Cc1cnc2c(c1)nc(C)n2Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
The InChIKey is GHFXRZINLYXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-7-15-16(18-9-11)20(12(2)19-15)10-14-5-3-13(8-17)4-6-14/h3-7,9H,10H2,1-2H3.
What are the key properties of 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile?
4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile has a molecular weight of 262.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 82150674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).