2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile

C19H19N5O — CID 163219956

IUPAC2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile
SMILESCn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C#N)ncc21
InChIInChI=1S/C19H19N5O/c1-23-17-12-21-18(22-15-9-5-2-6-13(15)11-20)10-16(17)24(19(23)25)14-7-3-4-8-14/h2,5-6,9-10,12,14H,3-4,7-8H2,1H3,(H,21,22)
InChIKeyJXBBZWVWNGNYJG-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.47
Rot. Bonds3

About 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile

2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile (PubChem CID 163219956) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile
PubChem CID163219956
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile
SMILESCn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C#N)ncc21
InChIInChI=1S/C19H19N5O/c1-23-17-12-21-18(22-15-9-5-2-6-13(15)11-20)10-16(17)24(19(23)25)14-7-3-4-8-14/h2,5-6,9-10,12,14H,3-4,7-8H2,1H3,(H,21,22)
InChIKeyJXBBZWVWNGNYJG-UHFFFAOYSA-N
XLogP3.47
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile?
The IUPAC name of 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile (CID 163219956) is 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile?
The canonical SMILES for 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile is Cn1c(=O)n(C2CCCC2)c2cc(Nc3ccccc3C#N)ncc21.
What is the InChIKey of 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile?
The InChIKey is JXBBZWVWNGNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-17-12-21-18(22-15-9-5-2-6-13(15)11-20)10-16(17)24(19(23)25)14-7-3-4-8-14/h2,5-6,9-10,12,14H,3-4,7-8H2,1H3,(H,21,22).
What are the key properties of 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile?
2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-3-methyl-2-oxoimidazo[4,5-c]pyridin-6-yl)amino]benzonitrile is sourced from PubChem (CID 163219956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).