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'}

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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).