3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C23H22N6O2 — CID 59742876

About 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 59742876) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
• PubChem CID: 59742876
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
• SMILES: N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2C2CC2)c1
• InChI: InChI=1S/C23H22N6O2/c24-13-15-5-4-6-16(11-15)21(30)27-23-26-19-12-17(22(31)28-9-2-1-3-10-28)14-25-20(19)29(23)18-7-8-18/h4-6,11-12,14,18H,1-3,7-10H2,(H,26,27,30)
• InChIKey: XUKPGFHYAPPUOX-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 103.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?

The IUPAC name of 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 59742876) is 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

What is the SMILES notation for 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?

The canonical SMILES for 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2C2CC2)c1.

What is the InChIKey of 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?

The InChIKey is XUKPGFHYAPPUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-13-15-5-4-6-16(11-15)21(30)27-23-26-19-12-17(22(31)28-9-2-1-3-10-28)14-25-20(19)29(23)18-7-8-18/h4-6,11-12,14,18H,1-3,7-10H2,(H,26,27,30).

What are the key properties of 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?

3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[3-cyclopropyl-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 59742876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).