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

C15H16N2O2S — CID 17406782

IUPACN-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H16N2O2S/c18-14-7-6-13(10-17-14)15(19)16-8-9-20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,16,19)(H,17,18)
InChIKeyUSKYOWALDIFESZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.04
Rot. Bonds6

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

N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 17406782) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID17406782
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H16N2O2S/c18-14-7-6-13(10-17-14)15(19)16-8-9-20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,16,19)(H,17,18)
InChIKeyUSKYOWALDIFESZ-UHFFFAOYSA-N
XLogP2.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-benzylsulfanylethyl)-6-oxo-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

6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
6-oxo-N-[3-(4-phenylmethoxyphenyl)propyl]-1H-pyridine-3-carboxamide
CID 110612295
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 107861304
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
N-(2-benzylsulfanylethyl)-3-methyl-4-nitrobenzamide
CID 27861111
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
N-(2-benzylsulfanylethyl)naphthalene-1-carboxamide
CID 18287141
N-[4-(2-benzylsulfanylethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18195771
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616
N-(2-benzylsulfanylethyl)-1H-indole-2-carboxamide
CID 9470319

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 17406782) is N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCSCc1ccccc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is USKYOWALDIFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14-7-6-13(10-17-14)15(19)16-8-9-20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,16,19)(H,17,18).
What are the key properties of N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17406782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).