4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide

C12H18N2O2S — CID 75518309

IUPAC4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSCCCCNC(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C12H18N2O2S/c1-9-5-7-14-12(16)10(9)11(15)13-6-3-4-8-17-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFZJKQXAJWYHGIR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.56
Rot. Bonds6

About 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide

4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 75518309) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID75518309
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCSCCCCNC(=O)c1c(C)cc[nH]c1=O
InChIInChI=1S/C12H18N2O2S/c1-9-5-7-14-12(16)10(9)11(15)13-6-3-4-8-17-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFZJKQXAJWYHGIR-UHFFFAOYSA-N
XLogP1.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(4-methylsulfanylbutyl)-2-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

CID 143768522
CID 143768522
CID 8243836
CID 8243836
CID 18164039
CID 18164039
CID 31959897
CID 31959897
CID 40391919
CID 40391919
CID 40391920
CID 40391920
CID 47174936
CID 47174936
CID 63960042
CID 63960042
CID 71918997
CID 71918997
CID 72051979
CID 72051979
CID 75390162
CID 75390162
CID 75414528
CID 75414528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide (CID 75518309) is 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide is CSCCCCNC(=O)c1c(C)cc[nH]c1=O.
What is the InChIKey of 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FZJKQXAJWYHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-7-14-12(16)10(9)11(15)13-6-3-4-8-17-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide?
4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75518309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).