N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C25H25Cl2N3O4 — CID 71547310

About N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71547310) has the molecular formula C25H25Cl2N3O4 and a molecular weight of 502.40 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
• PubChem CID: 71547310
• Molecular Formula: C25H25Cl2N3O4
• Molecular Weight: 502.40 g/mol
• Exact Mass: 501.12
• IUPAC Name: N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)cc1
• InChI: InChI=1S/C25H25Cl2N3O4/c1-29(2)24(33)17-9-7-16(8-10-17)21-14-18(22(31)25(34)30(21)3)23(32)28-12-4-5-15-6-11-19(26)20(27)13-15/h6-11,13-14,31H,4-5,12H2,1-3H3,(H,28,32)
• InChIKey: ADMTUELNIKMOLB-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 91.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.40
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?

The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 71547310) is N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?

The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)cc1.

What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?

The InChIKey is ADMTUELNIKMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O4/c1-29(2)24(33)17-9-7-16(8-10-17)21-14-18(22(31)25(34)30(21)3)23(32)28-12-4-5-15-6-11-19(26)20(27)13-15/h6-11,13-14,31H,4-5,12H2,1-3H3,(H,28,32).

What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?

N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 502.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,4-dichlorophenyl)propyl]-6-[4-(dimethylcarbamoyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71547310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).