N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

C26H27ClN4O — CID 46360101

About N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46360101) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• PubChem CID: 46360101
• Molecular Formula: C26H27ClN4O
• Molecular Weight: 446.98 g/mol
• Exact Mass: 446.19
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• SMILES: Cc1ccc(Cn2c(CCCC(=O)NCCc3ccc(Cl)cc3)nc3cccnc32)cc1
• InChI: InChI=1S/C26H27ClN4O/c1-19-7-9-21(10-8-19)18-31-24(30-23-4-3-16-29-26(23)31)5-2-6-25(32)28-17-15-20-11-13-22(27)14-12-20/h3-4,7-14,16H,2,5-6,15,17-18H2,1H3,(H,28,32)
• InChIKey: CMIYHQPXUZXJML-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.98
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46360101) is N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is Cc1ccc(Cn2c(CCCC(=O)NCCc3ccc(Cl)cc3)nc3cccnc32)cc1.

What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The InChIKey is CMIYHQPXUZXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-19-7-9-21(10-8-19)18-31-24(30-23-4-3-16-29-26(23)31)5-2-6-25(32)28-17-15-20-11-13-22(27)14-12-20/h3-4,7-14,16H,2,5-6,15,17-18H2,1H3,(H,28,32).

What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 446.98 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46360101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).