2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile

C16H15N5 — CID 82146414

IUPAC2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile
SMILESCc1cnc2c(c1)nc(-c1ccncc1)n2CC(C)C#N
InChIInChI=1S/C16H15N5/c1-11-7-14-16(19-9-11)21(10-12(2)8-17)15(20-14)13-3-5-18-6-4-13/h3-7,9,12H,10H2,1-2H3
InChIKeyKGBFMBYSOVJYIV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.96
Rot. Bonds3

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

2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile (PubChem CID 82146414) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile
PubChem CID82146414
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile
SMILESCc1cnc2c(c1)nc(-c1ccncc1)n2CC(C)C#N
InChIInChI=1S/C16H15N5/c1-11-7-14-16(19-9-11)21(10-12(2)8-17)15(20-14)13-3-5-18-6-4-13/h3-7,9,12H,10H2,1-2H3
InChIKeyKGBFMBYSOVJYIV-UHFFFAOYSA-N
XLogP2.96
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143696
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143683
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
3-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 94757877
2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143724
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
1-(8-phenylpurin-9-yl)propan-2-amine
CID 82665271
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile (CID 82146414) is 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile is Cc1cnc2c(c1)nc(-c1ccncc1)n2CC(C)C#N.
What is the InChIKey of 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile?
The InChIKey is KGBFMBYSOVJYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-11-7-14-16(19-9-11)21(10-12(2)8-17)15(20-14)13-3-5-18-6-4-13/h3-7,9,12H,10H2,1-2H3.
What are the key properties of 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile?
2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile has a molecular weight of 277.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 82146414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).