N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide

C29H26N6O3 — CID 143611670

About N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide

N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 143611670) has the molecular formula C29H26N6O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 143611670
• Molecular Formula: C29H26N6O3
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.21
• IUPAC Name: N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide
• SMILES: CC1CC2(C(=O)Nc3cc4nc(-c5ccc(NC(=O)c6ccccn6)cc5)[nH]c4cn3)CC3C(=O)C3(C1)C2
• InChI: InChI=1S/C29H26N6O3/c1-16-11-28(13-19-24(36)29(19,12-16)15-28)27(38)35-23-10-21-22(14-31-23)34-25(33-21)17-5-7-18(8-6-17)32-26(37)20-4-2-3-9-30-20/h2-10,14,16,19H,11-13,15H2,1H3,(H,32,37)(H,33,34)(H,31,35,38)
• InChIKey: KPEKJCNGZKVKKX-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 129.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide (CID 143611670) is N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide is CC1CC2(C(=O)Nc3cc4nc(-c5ccc(NC(=O)c6ccccn6)cc5)[nH]c4cn3)CC3C(=O)C3(C1)C2.

What is the InChIKey of N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is KPEKJCNGZKVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3/c1-16-11-28(13-19-24(36)29(19,12-16)15-28)27(38)35-23-10-21-22(14-31-23)34-25(33-21)17-5-7-18(8-6-17)32-26(37)20-4-2-3-9-30-20/h2-10,14,16,19H,11-13,15H2,1H3,(H,32,37)(H,33,34)(H,31,35,38).

What are the key properties of N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide?

N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 506.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[(7-methyl-2-oxotricyclo[3.3.1.01,3]nonane-5-carbonyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 143611670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).