5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide

C13H12N2O2S — CID 63864054

IUPAC5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C13H12N2O2S/c1-18-12-4-2-10(3-5-12)15-13(17)9-6-11(16)8-14-7-9/h2-8,16H,1H3,(H,15,17)
InChIKeyJZCHLQJKJBDWEP-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.76
Rot. Bonds3

About 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide

5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 63864054) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID63864054
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C13H12N2O2S/c1-18-12-4-2-10(3-5-12)15-13(17)9-6-11(16)8-14-7-9/h2-8,16H,1H3,(H,15,17)
InChIKeyJZCHLQJKJBDWEP-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide (CID 63864054) is 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide is CSc1ccc(NC(=O)c2cncc(O)c2)cc1.
What is the InChIKey of 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is JZCHLQJKJBDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-12-4-2-10(3-5-12)15-13(17)9-6-11(16)8-14-7-9/h2-8,16H,1H3,(H,15,17).
What are the key properties of 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide?
5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 63864054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).