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

C26H23F3N4O2S — CID 118322194

IUPAC6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=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)
InChIKeyHGZYUOUPDDKCBQ-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.22
Rot. Bonds6

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 Name6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID118322194
Molecular FormulaC26H23F3N4O2S
Molecular Weight512.56 g/mol
Exact Mass512.15
IUPAC Name6-methyl-5-(2-methylpyrazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=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)
InChIKeyHGZYUOUPDDKCBQ-UHFFFAOYSA-N
XLogP5.22
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).