N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H22N2O2S — CID 103709300

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccn(C)c(=O)c1)SC
InChIInChI=1S/C14H22N2O2S/c1-5-14(6-2,19-4)10-15-13(18)11-7-8-16(3)12(17)9-11/h7-9H,5-6,10H2,1-4H3,(H,15,18)
InChIKeyGCMVTUBWCVABFN-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.04
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 103709300) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID103709300
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CC)(CNC(=O)c1ccn(C)c(=O)c1)SC
InChIInChI=1S/C14H22N2O2S/c1-5-14(6-2,19-4)10-15-13(18)11-7-8-16(3)12(17)9-11/h7-9H,5-6,10H2,1-4H3,(H,15,18)
InChIKeyGCMVTUBWCVABFN-UHFFFAOYSA-N
XLogP2.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(2-ethyl-2-methylsulfanylbutyl)-3-hydroxy-4-methylbenzamide
CID 103957298
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 103709300) is N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is CCC(CC)(CNC(=O)c1ccn(C)c(=O)c1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is GCMVTUBWCVABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-14(6-2,19-4)10-15-13(18)11-7-8-16(3)12(17)9-11/h7-9H,5-6,10H2,1-4H3,(H,15,18).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103709300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).