N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

C15H24N2O2S — CID 119062665

IUPACN-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCSC(C)(C)C)c(=O)n(C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-9-12(14(19)17(6)11(10)2)13(18)16-7-8-20-15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18)
InChIKeyMNZZLPBMNSHSBY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds4

About N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide

N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 119062665) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID119062665
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCSC(C)(C)C)c(=O)n(C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-9-12(14(19)17(6)11(10)2)13(18)16-7-8-20-15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18)
InChIKeyMNZZLPBMNSHSBY-UHFFFAOYSA-N
XLogP2.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
CID 119058700
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
N-(2-tert-butylsulfanylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713562
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
CID 71879808
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
CID 125163140
N-(2-tert-butylsulfanylethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86883971
N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30398696
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
3-bromo-N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CID 4985303

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide (CID 119062665) is N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)NCCSC(C)(C)C)c(=O)n(C)c1C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is MNZZLPBMNSHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-9-12(14(19)17(6)11(10)2)13(18)16-7-8-20-15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18).
What are the key properties of N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide?
N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-1,5,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 119062665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).