N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C37H37ClN8O4 — CID 176544134

About N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 176544134) has the molecular formula C37H37ClN8O4 and a molecular weight of 693.21 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 176544134
• Molecular Formula: C37H37ClN8O4
• Molecular Weight: 693.21 g/mol
• Exact Mass: 692.26
• IUPAC Name: N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNCC1=CC=CNC1=C=O
• InChI: InChI=1S/C37H37ClN8O4/c1-22-25(26-10-6-12-28(34(26)38)44-37(49)35-42-30-20-45(2)15-13-32(30)46(35)3)9-5-11-27(22)43-36(48)29-16-33(50-4)24(19-41-29)18-39-17-23-8-7-14-40-31(23)21-47/h5-12,14,16,19,39-40H,13,15,17-18,20H2,1-4H3,(H,43,48)(H,44,49)
• InChIKey: XRNAXBYPMHLSCD-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 142.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	693.21
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 176544134) is N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1CNCC1=CC=CNC1=C=O.

What is the InChIKey of N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is XRNAXBYPMHLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClN8O4/c1-22-25(26-10-6-12-28(34(26)38)44-37(49)35-42-30-20-45(2)15-13-32(30)46(35)3)9-5-11-27(22)43-36(48)29-16-33(50-4)24(19-41-29)18-39-17-23-8-7-14-40-31(23)21-47/h5-12,14,16,19,39-40H,13,15,17-18,20H2,1-4H3,(H,43,48)(H,44,49).

What are the key properties of N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 693.21 g/mol, XLogP of 4.79, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[4-methoxy-5-[[[2-(oxomethylidene)-1H-pyridin-3-yl]methylamino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 176544134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).