1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide

C24H24ClFN2O2 — CID 21289330

About 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 21289330) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
• PubChem CID: 21289330
• Molecular Formula: C24H24ClFN2O2
• Molecular Weight: 426.92 g/mol
• Exact Mass: 426.15
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
• SMILES: CCc1cccc(C)c1NC(=O)c1c(C)n(Cc2ccc(Cl)cc2)c(C)c(F)c1=O
• InChI: InChI=1S/C24H24ClFN2O2/c1-5-18-8-6-7-14(2)22(18)27-24(30)20-15(3)28(16(4)21(26)23(20)29)13-17-9-11-19(25)12-10-17/h6-12H,5,13H2,1-4H3,(H,27,30)
• InChIKey: AVHRAMZKDPVQLE-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.92
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 21289330) is 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1c(C)n(Cc2ccc(Cl)cc2)c(C)c(F)c1=O.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?

The InChIKey is AVHRAMZKDPVQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O2/c1-5-18-8-6-7-14(2)22(18)27-24(30)20-15(3)28(16(4)21(26)23(20)29)13-17-9-11-19(25)12-10-17/h6-12H,5,13H2,1-4H3,(H,27,30).

What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?

1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 21289330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).