2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide

C11H14N2O2S — CID 51104190

IUPAC2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSCC1)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O2S/c14-10-9(2-1-5-12-10)11(15)13-8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,15)
InChIKeyPDMZAPQFKRHNBJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.00
Rot. Bonds2

About 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide

2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 51104190) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
PubChem CID51104190
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSCC1)c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O2S/c14-10-9(2-1-5-12-10)11(15)13-8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,15)
InChIKeyPDMZAPQFKRHNBJ-UHFFFAOYSA-N
XLogP1.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (CID 51104190) is 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide is O=C(NC1CCSCC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is PDMZAPQFKRHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10-9(2-1-5-12-10)11(15)13-8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,14)(H,13,15).
What are the key properties of 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51104190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).