N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C14H14N2O4S — CID 103764055

IUPACN-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C14H14N2O4S/c1-21(19,20)12-4-2-10(3-5-12)9-16-14(18)11-6-7-15-13(17)8-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQHDMKXFYMSZTFI-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.71
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103764055) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103764055
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C14H14N2O4S/c1-21(19,20)12-4-2-10(3-5-12)9-16-14(18)11-6-7-15-13(17)8-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyQHDMKXFYMSZTFI-UHFFFAOYSA-N
XLogP0.71
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 71919015
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
3-(cyanomethyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60511881
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 112522300
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103764055) is N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is QHDMKXFYMSZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-21(19,20)12-4-2-10(3-5-12)9-16-14(18)11-6-7-15-13(17)8-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).