2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide

C14H14N2O3S — CID 66848170

IUPAC2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cc2ncccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)11-6-4-10(5-7-11)9-13-12(14(15)17)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyCILJDGSXTOGYJB-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.17
Rot. Bonds4

About 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide

2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66848170) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
PubChem CID66848170
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cc2ncccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)11-6-4-10(5-7-11)9-13-12(14(15)17)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyCILJDGSXTOGYJB-UHFFFAOYSA-N
XLogP1.17
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 140674326
2-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 176827176
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67232650
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079
2-(4-methylsulfonylphenyl)ethanethioamide
CID 83969581
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516
methyl 3-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 138558600
(3-carbamoyl-2-pyridinyl) 4-methylbenzenesulfonate
CID 174559112

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide (CID 66848170) is 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(Cc2ncccc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is CILJDGSXTOGYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20(18,19)11-6-4-10(5-7-11)9-13-12(14(15)17)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17).
What are the key properties of 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide?
2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66848170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).