2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide

C11H14N2O2S — CID 107342929

IUPAC2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCSC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H14N2O2S/c14-10-5-9(1-3-12-10)11(15)13-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,14)(H,13,15)
InChIKeyBIFQPAASAKVXGB-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.86
Rot. Bonds3

About 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide

2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide (PubChem CID 107342929) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
PubChem CID107342929
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCSC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H14N2O2S/c14-10-5-9(1-3-12-10)11(15)13-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,14)(H,13,15)
InChIKeyBIFQPAASAKVXGB-UHFFFAOYSA-N
XLogP0.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-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-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
CID 107297840
N-[(3-methylcyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764483
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114147636
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
(E)-3-[2-chloro-4-(thiolan-3-ylmethylcarbamoyl)phenyl]prop-2-enoic acid
CID 107298029
5-(thiolan-3-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 107297808
5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
CID 107296482

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide (CID 107342929) is 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide is O=C(NCC1CCSC1)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide?
The InChIKey is BIFQPAASAKVXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10-5-9(1-3-12-10)11(15)13-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H,12,14)(H,13,15).
What are the key properties of 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide?
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 107342929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).