1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide

C14H14N2O2S — CID 103610725

IUPAC1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide
SMILESCSc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C14H14N2O2S/c1-16-7-6-10(8-13(16)17)14(18)15-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,15,18)
InChIKeyGPSQLVFVMDMUON-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds3

About 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide (PubChem CID 103610725) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide
PubChem CID103610725
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide
SMILESCSc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C14H14N2O2S/c1-16-7-6-10(8-13(16)17)14(18)15-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,15,18)
InChIKeyGPSQLVFVMDMUON-UHFFFAOYSA-N
XLogP2.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide (CID 103610725) is 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide is CSc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1.
What is the InChIKey of 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide?
The InChIKey is GPSQLVFVMDMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16-7-6-10(8-13(16)17)14(18)15-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfanylphenyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103610725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).