N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C13H12N2O2S — CID 42371486

IUPACN-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyZBVYZAJXNKKCGQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.35
Rot. Bonds3

About N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 42371486) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID42371486
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C13H12N2O2S/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyZBVYZAJXNKKCGQ-UHFFFAOYSA-N
XLogP2.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-[4-(2-amino-2-oxoethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 75414588
N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
CID 113220462
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(3,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692745
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 64787521
N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114262173
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738
N-(4-bromo-3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114259349
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 42371486) is N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CSc1ccc(NC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZBVYZAJXNKKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42371486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).