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

C12H18N2O2S — CID 103718186

IUPAC6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCSCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O2S/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBTDLXTXLGRPUTP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.56
Rot. Bonds6

About 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103718186) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103718186
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCSCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O2S/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBTDLXTXLGRPUTP-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'}

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Related Compounds

N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008
6-methyl-N-(2-methylsulfonylethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696440
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103718186) is 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide is CSCCCCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BTDLXTXLGRPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-(4-methylsulfanylbutyl)-4-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 6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).