N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide

C11H16N2O2S — CID 103765617

IUPACN-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2S/c1-16-7-3-2-5-13-11(15)9-4-6-12-10(14)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyZLKBJKQVTIXDAA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.25
Rot. Bonds6

About N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide

N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103765617) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103765617
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCSCCCCNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2S/c1-16-7-3-2-5-13-11(15)9-4-6-12-10(14)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyZLKBJKQVTIXDAA-UHFFFAOYSA-N
XLogP1.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.25
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

3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114039851
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103765617) is N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide is CSCCCCNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ZLKBJKQVTIXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16-7-3-2-5-13-11(15)9-4-6-12-10(14)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103765617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).