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

C11H14N2O2S — CID 106741440

IUPAC4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSCC1)c1c[nH]ccc1=O
InChIInChI=1S/C11H14N2O2S/c14-10-1-4-12-7-9(10)11(15)13-8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,12,14)(H,13,15)
InChIKeyRXLGBHQRSWEDSX-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.00
Rot. Bonds2

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

4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 106741440) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
PubChem CID106741440
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSCC1)c1c[nH]ccc1=O
InChIInChI=1S/C11H14N2O2S/c14-10-1-4-12-7-9(10)11(15)13-8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,12,14)(H,13,15)
InChIKeyRXLGBHQRSWEDSX-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 4-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

Related Compounds

N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
N-(3,4-dimethylcyclohexyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039154
6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 103696488
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039160
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 114038732
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
2-fluoro-5-sulfanyl-N-(thian-4-yl)benzamide
CID 107035785

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (CID 106741440) is 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide is O=C(NC1CCSCC1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is RXLGBHQRSWEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10-1-4-12-7-9(10)11(15)13-8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,12,14)(H,13,15).
What are the key properties of 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
4-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 4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106741440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).