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

C24H21N5O2 — CID 71841066

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

4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 71841066) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
• PubChem CID: 71841066
• Molecular Formula: C24H21N5O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.17
• IUPAC Name: 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
• SMILES: Cc1cccc(Cn2c(=O)n(CCNC(=O)c3ccc(C#N)cc3)c3ncccc32)c1
• InChI: InChI=1S/C24H21N5O2/c1-17-4-2-5-19(14-17)16-29-21-6-3-11-26-22(21)28(24(29)31)13-12-27-23(30)20-9-7-18(15-25)8-10-20/h2-11,14H,12-13,16H2,1H3,(H,27,30)
• InChIKey: NHVTYSHAPDXFRY-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?

The IUPAC name of 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 71841066) is 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

What is the SMILES notation for 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?

The canonical SMILES for 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is Cc1cccc(Cn2c(=O)n(CCNC(=O)c3ccc(C#N)cc3)c3ncccc32)c1.

What is the InChIKey of 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?

The InChIKey is NHVTYSHAPDXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17-4-2-5-19(14-17)16-29-21-6-3-11-26-22(21)28(24(29)31)13-12-27-23(30)20-9-7-18(15-25)8-10-20/h2-11,14H,12-13,16H2,1H3,(H,27,30).

What are the key properties of 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?

4-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 4-cyano-N-[2-[1-[(3-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 71841066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).