6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H23F3N4O2S — CID 118322194

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

6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118322194) has the molecular formula C26H23F3N4O2S and a molecular weight of 512.56 g/mol. Its IUPAC name is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 118322194
• Molecular Formula: C26H23F3N4O2S
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.15
• IUPAC Name: 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CSc1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
• InChI: InChI=1S/C26H23F3N4O2S/c1-16-21(23-11-12-31-32(23)2)14-22(24(34)30-15-17-7-9-20(36-3)10-8-17)25(35)33(16)19-6-4-5-18(13-19)26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34)
• InChIKey: HGZYUOUPDDKCBQ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118322194) is 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CSc1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.

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

The InChIKey is HGZYUOUPDDKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2S/c1-16-21(23-11-12-31-32(23)2)14-22(24(34)30-15-17-7-9-20(36-3)10-8-17)25(35)33(16)19-6-4-5-18(13-19)26(27,28)29/h4-14H,15H2,1-3H3,(H,30,34).

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

6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118322194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).