N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C20H24N6O — CID 175645040

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175645040) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 175645040
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CN1CCCC1CCNC(=O)c1cnc2c(c1)ncn2Cc1cccnc1
• InChI: InChI=1S/C20H24N6O/c1-25-9-3-5-17(25)6-8-22-20(27)16-10-18-19(23-12-16)26(14-24-18)13-15-4-2-7-21-11-15/h2,4,7,10-12,14,17H,3,5-6,8-9,13H2,1H3,(H,22,27)
• InChIKey: QQVDSIUEYKBYGO-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 175645040) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is CN1CCCC1CCNC(=O)c1cnc2c(c1)ncn2Cc1cccnc1.

What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is QQVDSIUEYKBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-25-9-3-5-17(25)6-8-22-20(27)16-10-18-19(23-12-16)26(14-24-18)13-15-4-2-7-21-11-15/h2,4,7,10-12,14,17H,3,5-6,8-9,13H2,1H3,(H,22,27).

What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175645040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).