N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C34H37Cl2N7O3 — CID 156575324

About N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575324) has the molecular formula C34H37Cl2N7O3 and a molecular weight of 662.62 g/mol. Its IUPAC name is N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575324
• Molecular Formula: C34H37Cl2N7O3
• Molecular Weight: 662.62 g/mol
• Exact Mass: 661.23
• IUPAC Name: N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CN1CC(CNC(C)=O)C1
• InChI: InChI=1S/C34H37Cl2N7O3/c1-20(44)37-15-21-16-43(17-21)18-22-11-12-26(40-34(22)46-4)25-9-5-7-23(30(25)35)24-8-6-10-27(31(24)36)39-33(45)32-38-28-19-41(2)14-13-29(28)42(32)3/h5-12,21H,13-19H2,1-4H3,(H,37,44)(H,39,45)
• InChIKey: NABLYRMYEDHWHC-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.62
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575324) is N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)ccc1CN1CC(CNC(C)=O)C1.

What is the InChIKey of N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is NABLYRMYEDHWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37Cl2N7O3/c1-20(44)37-15-21-16-43(17-21)18-22-11-12-26(40-34(22)46-4)25-9-5-7-23(30(25)35)24-8-6-10-27(31(24)36)39-33(45)32-38-28-19-41(2)14-13-29(28)42(32)3/h5-12,21H,13-19H2,1-4H3,(H,37,44)(H,39,45).

What are the key properties of N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 662.62 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[5-[[3-(acetamidomethyl)azetidin-1-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).