5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H15F3N4O4S — CID 11847720

IUPAC5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)c2ccc(C#N)nc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F3N4O4S/c1-12-18(33(31,32)16-7-6-14(10-25)27-11-16)9-17(19(29)26-2)20(30)28(12)15-5-3-4-13(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29)
InChIKeyZYPDBTPLYAMCGM-UHFFFAOYSA-N
MW476.44 g/mol
LogP2.62
Rot. Bonds4

About 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11847720) has the molecular formula C21H15F3N4O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11847720
Molecular FormulaC21H15F3N4O4S
Molecular Weight476.44 g/mol
Exact Mass476.08
IUPAC Name5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)c2ccc(C#N)nc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F3N4O4S/c1-12-18(33(31,32)16-7-6-14(10-25)27-11-16)9-17(19(29)26-2)20(30)28(12)15-5-3-4-13(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29)
InChIKeyZYPDBTPLYAMCGM-UHFFFAOYSA-N
XLogP2.62
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725168
2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonic acid
CID 11847627
5-(5-bromopyrimidin-2-yl)sulfinyl-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848090
5-cyano-N-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23320436
5-(2-bromopropanoyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 86614782
6-bromo-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 66738659
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-5-(1,3-oxazol-4-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725295
5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 68880601
6-[2-(5-cyano-2-pyridinyl)pyrazol-3-yl]-N,5-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 24890487
3,3-dimethyl-2-[[2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]butanoate
CID 86610950
2-methyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-3-N-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68882213
3-N-(2-hydroxyethyl)-3-N,2-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68880505

Frequently Asked Questions

What is the IUPAC name of 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11847720) is 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1cc(S(=O)(=O)c2ccc(C#N)nc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZYPDBTPLYAMCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S/c1-12-18(33(31,32)16-7-6-14(10-25)27-11-16)9-17(19(29)26-2)20(30)28(12)15-5-3-4-13(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29).
What are the key properties of 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 476.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-cyano-3-pyridinyl)sulfonyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11847720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).