1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide

C12H18N2O2S — CID 103713487

IUPAC1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O2S/c1-12(2,17-4)8-13-11(16)9-5-6-14(3)10(15)7-9/h5-7H,8H2,1-4H3,(H,13,16)
InChIKeyNLXIDJUESITHCG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.26
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide (PubChem CID 103713487) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
PubChem CID103713487
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O2S/c1-12(2,17-4)8-13-11(16)9-5-6-14(3)10(15)7-9/h5-7H,8H2,1-4H3,(H,13,16)
InChIKeyNLXIDJUESITHCG-UHFFFAOYSA-N
XLogP1.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 111422607
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide (CID 103713487) is 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide is CSC(C)(C)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
The InChIKey is NLXIDJUESITHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,17-4)8-13-11(16)9-5-6-14(3)10(15)7-9/h5-7H,8H2,1-4H3,(H,13,16).
What are the key properties of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103713487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).