N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

C21H19ClN4OS — CID 20867614

About N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide

N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867614) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
• PubChem CID: 20867614
• Molecular Formula: C21H19ClN4OS
• Molecular Weight: 410.93 g/mol
• Exact Mass: 410.10
• IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
• SMILES: Cc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1Cl
• InChI: InChI=1S/C21H19ClN4OS/c1-14-6-7-15(12-17(14)22)24-20(27)9-8-19-25-18-5-2-10-23-21(18)26(19)13-16-4-3-11-28-16/h2-7,10-12H,8-9,13H2,1H3,(H,24,27)
• InChIKey: NSSVFWCMFYZEBE-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.93
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867614) is N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?

The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is Cc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1Cl.

What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?

The InChIKey is NSSVFWCMFYZEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c1-14-6-7-15(12-17(14)22)24-20(27)9-8-19-25-18-5-2-10-23-21(18)26(19)13-16-4-3-11-28-16/h2-7,10-12H,8-9,13H2,1H3,(H,24,27).

What are the key properties of N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?

N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 410.93 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).