N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C14H22N2O2S — CID 71989380

IUPACN-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2S/c1-5-19-9-8-11(3)16(4)14(18)12-7-6-10(2)15-13(12)17/h6-7,11H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyWCNXOUDATWHDFT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71989380) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71989380
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCSCCC(C)N(C)C(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2S/c1-5-19-9-8-11(3)16(4)14(18)12-7-6-10(2)15-13(12)17/h6-7,11H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyWCNXOUDATWHDFT-UHFFFAOYSA-N
XLogP2.29
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-methyl-N-(3-methylsulfonylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048335
6-ethyl-N-[2-(ethylthio)ethyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 74247398
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylsulfanylacetamide
CID 8243836
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylsulfanylpropanamide
CID 18164039
2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 31959897
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylsulfanylpropanamide
CID 40391919
(2R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylsulfanylpropanamide
CID 40391920
5-Amino-1-(3-tert-butylsulfanylpropyl)pyridin-2-one
CID 43260363
N-(2-cyclopentylsulfanylethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47174936
2-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 51104190
N-(1-methyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420459
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66421642

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 71989380) is N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is CCSCCC(C)N(C)C(=O)c1ccc(C)[nH]c1=O.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WCNXOUDATWHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-19-9-8-11(3)16(4)14(18)12-7-6-10(2)15-13(12)17/h6-7,11H,5,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71989380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).