6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C25H20F3N3O5S — CID 66725295

About 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 66725295) has the molecular formula C25H20F3N3O5S and a molecular weight of 531.51 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 66725295
• Molecular Formula: C25H20F3N3O5S
• Molecular Weight: 531.51 g/mol
• Exact Mass: 531.11
• IUPAC Name: 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2cocn2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H20F3N3O5S/c1-15-20(22-13-36-14-30-22)11-21(23(32)29-12-16-6-8-19(9-7-16)37(2,34)35)24(33)31(15)18-5-3-4-17(10-18)25(26,27)28/h3-11,13-14H,12H2,1-2H3,(H,29,32)
• InChIKey: PSRDKZFHSGFOTJ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 111.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.51
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 66725295) is 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2cocn2)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is PSRDKZFHSGFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O5S/c1-15-20(22-13-36-14-30-22)11-21(23(32)29-12-16-6-8-19(9-7-16)37(2,34)35)24(33)31(15)18-5-3-4-17(10-18)25(26,27)28/h3-11,13-14H,12H2,1-2H3,(H,29,32).

What are the key properties of 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 531.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66725295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).