6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

C20H17FN2O3S — CID 59406527

IUPAC6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-22-20(24)19-8-4-7-18(23-19)16-5-2-3-6-17(16)21/h2-12H,13H2,1H3,(H,22,24)
InChIKeySNWJUXYGAAOAAO-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.22
Rot. Bonds5

About 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 59406527) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
PubChem CID59406527
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-22-20(24)19-8-4-7-18(23-19)16-5-2-3-6-17(16)21/h2-12H,13H2,1H3,(H,22,24)
InChIKeySNWJUXYGAAOAAO-UHFFFAOYSA-N
XLogP3.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide
CID 59406369
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406543
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
2-N-benzyl-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109097324
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
1-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112824216
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (CID 59406527) is 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cccc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SNWJUXYGAAOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-22-20(24)19-8-4-7-18(23-19)16-5-2-3-6-17(16)21/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59406527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).