3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

C24H21N5O2 — CID 71841078

IUPAC3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESCc1cccc(Cn2c(=O)n(CCNC(=O)c3cccc(C#N)c3)c3ncccc32)c1
InChIInChI=1S/C24H21N5O2/c1-17-5-2-7-19(13-17)16-29-21-9-4-10-26-22(21)28(24(29)31)12-11-27-23(30)20-8-3-6-18(14-20)15-25/h2-10,13-14H,11-12,16H2,1H3,(H,27,30)
InChIKeySBZGVWDRKWHJQJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.86
Rot. Bonds6

About 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 71841078) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID71841078
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESCc1cccc(Cn2c(=O)n(CCNC(=O)c3cccc(C#N)c3)c3ncccc32)c1
InChIInChI=1S/C24H21N5O2/c1-17-5-2-7-19(13-17)16-29-21-9-4-10-26-22(21)28(24(29)31)12-11-27-23(30)20-8-3-6-18(14-20)15-25/h2-10,13-14H,11-12,16H2,1H3,(H,27,30)
InChIKeySBZGVWDRKWHJQJ-UHFFFAOYSA-N
XLogP2.86
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 71841078) is 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is Cc1cccc(Cn2c(=O)n(CCNC(=O)c3cccc(C#N)c3)c3ncccc32)c1.
What is the InChIKey of 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is SBZGVWDRKWHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17-5-2-7-19(13-17)16-29-21-9-4-10-26-22(21)28(24(29)31)12-11-27-23(30)20-8-3-6-18(14-20)15-25/h2-10,13-14H,11-12,16H2,1H3,(H,27,30).
What are the key properties of 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 71841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).