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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Related Compounds

2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
CID 170233626
N-(cyclopentylmethyl)-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 146131237
2-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240929
2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240615
4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-(2-ethylsulfanylethyl)benzamide
CID 122571299
2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
CID 167980554
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 125166620
2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 74231803
2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
CID 167898652
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate
CID 75446915

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).