6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide

C17H16F3N3O3S — CID 172605516

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1NC(=O)c1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C17H16F3N3O3S/c1-27(25,26)14-8-12(18)3-4-13(14)22-16(24)11-2-5-15(21-9-11)23-7-6-17(19,20)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyJRNKTIFUFXSNLJ-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.72
Rot. Bonds4

About 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide

6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 172605516) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID172605516
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1NC(=O)c1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C17H16F3N3O3S/c1-27(25,26)14-8-12(18)3-4-13(14)22-16(24)11-2-5-15(21-9-11)23-7-6-17(19,20)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyJRNKTIFUFXSNLJ-UHFFFAOYSA-N
XLogP2.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
N-[(4-bromo-1-methylpyrazolo[4,5-c]quinolin-7-yl)methyl]-6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605366
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109160028
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
CID 118962082
N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 178180304
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3567091
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide (CID 172605516) is 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide is CS(=O)(=O)c1cc(F)ccc1NC(=O)c1ccc(N2CCC(F)(F)C2)nc1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is JRNKTIFUFXSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-27(25,26)14-8-12(18)3-4-13(14)22-16(24)11-2-5-15(21-9-11)23-7-6-17(19,20)10-23/h2-5,8-9H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide?
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 172605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).