2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide

C12H18N2O2S — CID 74247398

IUPAC2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCCSCCNC(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2S/c1-3-10-7-9(8-11(15)14-10)12(16)13-5-6-17-4-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySBUISXAMDAQCRE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.42
Rot. Bonds6

About 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide

2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 74247398) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID74247398
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCCSCCNC(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2S/c1-3-10-7-9(8-11(15)14-10)12(16)13-5-6-17-4-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySBUISXAMDAQCRE-UHFFFAOYSA-N
XLogP1.42
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide (CID 74247398) is 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide is CCSCCNC(=O)c1cc(CC)[nH]c(=O)c1.
What is the InChIKey of 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is SBUISXAMDAQCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-10-7-9(8-11(15)14-10)12(16)13-5-6-17-4-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 74247398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).