N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)

C68H63Cl6FN6O9 — CID 158851843

About N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)

N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide) (PubChem CID 158851843) has the molecular formula C68H63Cl6FN6O9 and a molecular weight of 1340.00 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide).

Molecular Properties

• Compound Name: N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
• PubChem CID: 158851843
• Molecular Formula: C68H63Cl6FN6O9
• Molecular Weight: 1340.00 g/mol
• Exact Mass: 1336.28
• IUPAC Name: N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)
• SMILES: Cc1cccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)c1.Cc1cccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)c1.Cn1c(-c2ccc(F)cc2)cc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O
• InChI: InChI=1S/2C23H22Cl2N2O3.C22H19Cl2FN2O3/c2*1-14-5-3-7-16(11-14)20-13-17(21(28)23(30)27(20)2)22(29)26-10-4-6-15-8-9-18(24)19(25)12-15;1-27-19(14-5-7-15(25)8-6-14)12-16(20(28)22(27)30)21(29)26-10-2-3-13-4-9-17(23)18(24)11-13/h2*3,5,7-9,11-13,28H,4,6,10H2,1-2H3,(H,26,29);4-9,11-12,28H,2-3,10H2,1H3,(H,26,29)
• InChIKey: IZOADJBOFKACQZ-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 213.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1340.00
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide)?

The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide) (CID 158851843) is N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide).

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

The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide) is Cc1cccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)c1.Cc1cccc(-c2cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)c1.Cn1c(-c2ccc(F)cc2)cc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c(O)c1=O.

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

The InChIKey is IZOADJBOFKACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22Cl2N2O3.C22H19Cl2FN2O3/c2*1-14-5-3-7-16(11-14)20-13-17(21(28)23(30)27(20)2)22(29)26-10-4-6-15-8-9-18(24)19(25)12-15;1-27-19(14-5-7-15(25)8-6-14)12-16(20(28)22(27)30)21(29)26-10-2-3-13-4-9-17(23)18(24)11-13/h2*3,5,7-9,11-13,28H,4,6,10H2,1-2H3,(H,26,29);4-9,11-12,28H,2-3,10H2,1H3,(H,26,29).

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

N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide) has a molecular weight of 1340.00 g/mol, XLogP of 14.04, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,4-dichlorophenyl)propyl]-6-(4-fluorophenyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide;bis(N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-1-methyl-6-(3-methylphenyl)-2-oxopyridine-4-carboxamide) is sourced from PubChem (CID 158851843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).