2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide

C8H10N2O2S — CID 58957141

IUPAC2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCS)c1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O2S/c11-7-6(2-1-3-9-7)8(12)10-4-5-13/h1-3,13H,4-5H2,(H,9,11)(H,10,12)
InChIKeyKCNMFOPIZKEWOA-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.03
Rot. Bonds3

About 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide (PubChem CID 58957141) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
PubChem CID58957141
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCS)c1ccc[nH]c1=O
InChIInChI=1S/C8H10N2O2S/c11-7-6(2-1-3-9-7)8(12)10-4-5-13/h1-3,13H,4-5H2,(H,9,11)(H,10,12)
InChIKeyKCNMFOPIZKEWOA-UHFFFAOYSA-N
XLogP0.03
TPSA61.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38421914
N-(but-3-yn-1-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765699
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
2-oxo-N-(2-sulfanylethyl)-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 177680165
3-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]-3-sulfanylpropanamide
CID 87907963
[3-[(3-Amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
CID 145023162
1-methyl-2-oxo-N-{2-[(trifluoromethyl)thio]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 77095229
N-(3-fluorobutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 136545355
3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-sulfanylethyl)propanamide
CID 177679516
1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 177679819

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide (CID 58957141) is 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide is O=C(NCCS)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KCNMFOPIZKEWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-7-6(2-1-3-9-7)8(12)10-4-5-13/h1-3,13H,4-5H2,(H,9,11)(H,10,12).
What are the key properties of 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-sulfanylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 58957141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).