5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C25H24F4N2O4S — CID 127053931

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 127053931) has the molecular formula C25H24F4N2O4S and a molecular weight of 524.54 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 127053931
• Molecular Formula: C25H24F4N2O4S
• Molecular Weight: 524.54 g/mol
• Exact Mass: 524.14
• IUPAC Name: 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
• SMILES: Cc1c(-c2ccc(F)c(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1C(C)C
• InChI: InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-5-8-18(9-6-16)36(4,34)35)23(32)22(15(31)3)17-7-10-21(26)20(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)
• InChIKey: UKSAXRUPNMEZSA-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 85.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 127053931) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2ccc(F)c(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1C(C)C.

What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?

The InChIKey is UKSAXRUPNMEZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-5-8-18(9-6-16)36(4,34)35)23(32)22(15(31)3)17-7-10-21(26)20(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33).

What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?

5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 524.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 127053931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).