3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide

C13H12N2O2S — CID 59562406

IUPAC3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide
SMILESO=C(NO)c1ncccc1SCc1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-13(15-17)12-11(7-4-8-14-12)18-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)
InChIKeyPJUVGOATEQVKSE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.49
Rot. Bonds4

About 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide

3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide (PubChem CID 59562406) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide
PubChem CID59562406
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide
SMILESO=C(NO)c1ncccc1SCc1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-13(15-17)12-11(7-4-8-14-12)18-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)
InChIKeyPJUVGOATEQVKSE-UHFFFAOYSA-N
XLogP2.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 2442932
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-2-carboxamide
CID 11483359
5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 11617038
N-hydroxy-5-(5-(phenethylamino)pyridin-2-yl)thiophene-2-carboxamide
CID 44418127
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506
2-(ethylthio)-N-3-pyridinylbenzamide
CID 971364
2-(2-methoxyethylsulfanyl)-N-pyridin-3-ylbenzamide
CID 2218460
N-[3-(methylsulfanyl)phenyl]pyridine-2-carboxamide
CID 2441036
5H-Pyrido[3,2-a]phenothiazin-5-one
CID 10378116
5-(5-(2-(benzylamino)ethyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418149
N-hydroxy-5-(5-(2-(phenethylamino)ethyl)pyridin-2-yl)thiophene-2-carboxamide
CID 44418154

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide?
The IUPAC name of 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide (CID 59562406) is 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide is O=C(NO)c1ncccc1SCc1ccccc1.
What is the InChIKey of 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide?
The InChIKey is PJUVGOATEQVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-13(15-17)12-11(7-4-8-14-12)18-9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16).
What are the key properties of 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide?
3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 59562406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).