4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide

C20H17F3N4O3S — CID 178088421

IUPAC4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cc(C#N)c(N2CCC(F)(F)CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O3S/c1-2-31(29,30)26-19(28)16-11-14(12-24)18(27-9-7-20(22,23)8-10-27)17(25-16)13-3-5-15(21)6-4-13/h2-6,11H,1,7-10H2,(H,26,28)
InChIKeyUAWHKKFPQOXCLD-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.20
Rot. Bonds5

About 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide

4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 178088421) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID178088421
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide
SMILESC=CS(=O)(=O)NC(=O)c1cc(C#N)c(N2CCC(F)(F)CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O3S/c1-2-31(29,30)26-19(28)16-11-14(12-24)18(27-9-7-20(22,23)8-10-27)17(25-16)13-3-5-15(21)6-4-13/h2-6,11H,1,7-10H2,(H,26,28)
InChIKeyUAWHKKFPQOXCLD-UHFFFAOYSA-N
XLogP3.20
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-cyano-5-(4,4-difluoropiperidin-1-yl)-6-(4-fluorophenyl)pyridine-2-carboxylate
CID 178088219
3-amino-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088331
5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)-3-methoxypyrazine-2-carboxamide
CID 178088252
N-ethenylsulfonyl-6-(4-fluorophenyl)-5-[(1-methylcyclopentyl)amino]pyrazine-2-carboxamide
CID 178088451
N-ethenylsulfonyl-5-(6-fluoro-1-azaspiro[3.3]heptan-1-yl)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088402
N-ethenylsulfonyl-5-[(3S)-3-fluoro-1-azaspiro[3.3]heptan-1-yl]-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 178088449
5-(3,3-difluoropyrrolidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 178087810
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(6-fluoro-3-pyridinyl)-6-(6-methyl-3-pyridinyl)pyridine-4-carbonitrile
CID 177209403
5-bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile
CID 86811090
2-(4,4-difluoropiperidin-1-yl)-4-nitrobenzonitrile
CID 170563429
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide (CID 178088421) is 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide is C=CS(=O)(=O)NC(=O)c1cc(C#N)c(N2CCC(F)(F)CC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is UAWHKKFPQOXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-2-31(29,30)26-19(28)16-11-14(12-24)18(27-9-7-20(22,23)8-10-27)17(25-16)13-3-5-15(21)6-4-13/h2-6,11H,1,7-10H2,(H,26,28).
What are the key properties of 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide?
4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(4,4-difluoropiperidin-1-yl)-N-ethenylsulfonyl-6-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 178088421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).