2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide

C14H14N2O3S — CID 95619666

IUPAC2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC[S@](=O)c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18)/t20-/m0/s1
InChIKeyGTKHCUYGIJGTQP-FQEVSTJZSA-N
MW290.34 g/mol
LogP0.91
Rot. Bonds5

About 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide

2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide (PubChem CID 95619666) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide
PubChem CID95619666
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC[S@](=O)c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18)/t20-/m0/s1
InChIKeyGTKHCUYGIJGTQP-FQEVSTJZSA-N
XLogP0.91
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
4-fluoro-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 99773991
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 66167281
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
N-[2-(benzenesulfinyl)ethyl]-2-ethoxy-3-fluorobenzamide
CID 71994782
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 65284491
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide (CID 95619666) is 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide is O=C(NCC[S@](=O)c1ccccc1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is GTKHCUYGIJGTQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18)/t20-/m0/s1.
What are the key properties of 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95619666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).