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

C13H12N2O2S — CID 27229158

IUPACN-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H12N2O2S/c1-18-10-5-2-4-9(8-10)15-13(17)11-6-3-7-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyYTZUGFHCTQGZJY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.35
Rot. Bonds3

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

N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 27229158) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID27229158
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C13H12N2O2S/c1-18-10-5-2-4-9(8-10)15-13(17)11-6-3-7-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17)
InChIKeyYTZUGFHCTQGZJY-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 27229158) is N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CSc1cccc(NC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YTZUGFHCTQGZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-10-5-2-4-9(8-10)15-13(17)11-6-3-7-14-12(11)16/h2-8H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-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-(3-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27229158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).