N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O2S — CID 71865261

IUPACN-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-5-10(13(18)16-8)14(19)17-9-4-6-12(20-2)11(15)7-9/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyRVPFYKSDNNCNHQ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.31
Rot. Bonds3

About N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71865261) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71865261
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1Cl
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-5-10(13(18)16-8)14(19)17-9-4-6-12(20-2)11(15)7-9/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyRVPFYKSDNNCNHQ-UHFFFAOYSA-N
XLogP3.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590012
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467
N-(4-bromo-3-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113241584
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
4-chloro-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 104772643
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 71865261) is N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CSc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RVPFYKSDNNCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-8-3-5-10(13(18)16-8)14(19)17-9-4-6-12(20-2)11(15)7-9/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylsulfanylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).