3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile

C14H11N5 — CID 81138921

IUPAC3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccc2nc(N)n(-c3cccc(C#N)c3)c2n1
InChIInChI=1S/C14H11N5/c1-9-5-6-12-13(17-9)19(14(16)18-12)11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H2,16,18)
InChIKeyMXBORCDDQGYAMA-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.18
Rot. Bonds1

About 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile

3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 81138921) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID81138921
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccc2nc(N)n(-c3cccc(C#N)c3)c2n1
InChIInChI=1S/C14H11N5/c1-9-5-6-12-13(17-9)19(14(16)18-12)11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H2,16,18)
InChIKeyMXBORCDDQGYAMA-UHFFFAOYSA-N
XLogP2.18
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 81138921) is 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile is Cc1ccc2nc(N)n(-c3cccc(C#N)c3)c2n1.
What is the InChIKey of 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is MXBORCDDQGYAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-5-6-12-13(17-9)19(14(16)18-12)11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H2,16,18).
What are the key properties of 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 81138921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).