6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide

C14H14N2O2S — CID 17477063

IUPAC6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14N2O2S/c17-13-7-6-11(10-16-13)14(18)15-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyFPLKOXCGUOMTEJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.90
Rot. Bonds5

About 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide

6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide (PubChem CID 17477063) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide
PubChem CID17477063
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H14N2O2S/c17-13-7-6-11(10-16-13)14(18)15-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17)
InChIKeyFPLKOXCGUOMTEJ-UHFFFAOYSA-N
XLogP1.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-(3-phenylsulfanylpropyl)-1H-pyridine-3-carboxamide
CID 17401617
2-oxo-5-phenylsulfanyl-1H-pyridine-3-carbonitrile
CID 71575180
5-phenylsulfanyl-1H-pyrimidine-2,4-dione
CID 308734
2,2,5,5-tetramethyl-N-[3-[(2-phenylsulfanylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
CID 14306908
N-[2-(4-chlorophenyl)sulfanylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 27883886
2-(phenylsulfanyl)-N-(prop-2-en-1-yl)acetamide
CID 1728562
3-phenylsulfanyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 162406246
N-ethyl-2-(phenylsulfanyl)propanamide
CID 2889212
N-{2-[(4-methylphenyl)sulfanyl]ethyl}-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 2920968
4-Phenylthiopyridinone
CID 19365875
N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56786078
Propanethioic acid, 3-(1,2-dihydro-5-trifluoromethyl-2-oxopyridinyl)-, S-phenyl ester
CID 544474

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide (CID 17477063) is 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide is O=C(NCCSc1ccccc1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FPLKOXCGUOMTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13-7-6-11(10-16-13)14(18)15-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,15,18)(H,16,17).
What are the key properties of 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-phenylsulfanylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17477063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).