N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C31H31ClN6O4 — CID 172702696

About N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 172702696) has the molecular formula C31H31ClN6O4 and a molecular weight of 587.08 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 172702696
• Molecular Formula: C31H31ClN6O4
• Molecular Weight: 587.08 g/mol
• Exact Mass: 586.21
• IUPAC Name: N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1C=O
• InChI: InChI=1S/C31H31ClN6O4/c1-18-21(7-5-9-23(18)35-30(40)25-13-19(17-42-4)20(16-39)14-33-25)22-8-6-10-24(28(22)32)36-31(41)29-34-26-15-37(2)12-11-27(26)38(29)3/h5-10,13-14,16H,11-12,15,17H2,1-4H3,(H,35,40)(H,36,41)
• InChIKey: DEELGSYSCGEHAN-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.08
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 172702696) is N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2C)ncc1C=O.

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

The InChIKey is DEELGSYSCGEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN6O4/c1-18-21(7-5-9-23(18)35-30(40)25-13-19(17-42-4)20(16-39)14-33-25)22-8-6-10-24(28(22)32)36-31(41)29-34-26-15-37(2)12-11-27(26)38(29)3/h5-10,13-14,16H,11-12,15,17H2,1-4H3,(H,35,40)(H,36,41).

What are the key properties of N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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-[[5-formyl-4-(methoxymethyl)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 587.08 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[5-formyl-4-(methoxymethyl)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 172702696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).