6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide

C25H36N2O2 — CID 23040137

IUPAC6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)c(C(=O)Nc2c(C)cccc2CC)c(=O)c(C)c1CC
InChIInChI=1S/C25H36N2O2/c1-7-10-11-12-16-27-19(6)22(24(28)18(5)21(27)9-3)25(29)26-23-17(4)14-13-15-20(23)8-2/h13-15H,7-12,16H2,1-6H3,(H,26,29)
InChIKeyRFKQMUHHRZODMR-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.73
Rot. Bonds9

About 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide

6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040137) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040137
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(C)c(C(=O)Nc2c(C)cccc2CC)c(=O)c(C)c1CC
InChIInChI=1S/C25H36N2O2/c1-7-10-11-12-16-27-19(6)22(24(28)18(5)21(27)9-3)25(29)26-23-17(4)14-13-15-20(23)8-2/h13-15H,7-12,16H2,1-6H3,(H,26,29)
InChIKeyRFKQMUHHRZODMR-UHFFFAOYSA-N
XLogP5.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.73
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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Related Compounds

1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289438
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040375
N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide
CID 23037880
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040615
1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289330
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide (CID 23040137) is 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide is CCCCCCn1c(C)c(C(=O)Nc2c(C)cccc2CC)c(=O)c(C)c1CC.
What is the InChIKey of 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is RFKQMUHHRZODMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-7-10-11-12-16-27-19(6)22(24(28)18(5)21(27)9-3)25(29)26-23-17(4)14-13-15-20(23)8-2/h13-15H,7-12,16H2,1-6H3,(H,26,29).
What are the key properties of 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).