N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide

C24H34N2O2 — CID 23037899

IUPACN-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C24H34N2O2/c1-7-10-11-15-26-17(5)16(4)23(27)21(18(26)6)24(28)25-22-19(8-2)13-12-14-20(22)9-3/h12-14H,7-11,15H2,1-6H3,(H,25,28)
InChIKeyLJUQKLYLLJUTEW-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.34
Rot. Bonds8

About N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide

N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide (PubChem CID 23037899) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
PubChem CID23037899
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
SMILESCCCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C
InChIInChI=1S/C24H34N2O2/c1-7-10-11-15-26-17(5)16(4)23(27)21(18(26)6)24(28)25-22-19(8-2)13-12-14-20(22)9-3/h12-14H,7-11,15H2,1-6H3,(H,25,28)
InChIKeyLJUQKLYLLJUTEW-UHFFFAOYSA-N
XLogP5.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.34
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

6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040137
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289438
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040375
N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040615
1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289337
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-prop-2-ynylpyridine-3-carboxamide
CID 21289355
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289457

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide (CID 23037899) is N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide is CCCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cccc2CC)c1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide?
The InChIKey is LJUQKLYLLJUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-7-10-11-15-26-17(5)16(4)23(27)21(18(26)6)24(28)25-22-19(8-2)13-12-14-20(22)9-3/h12-14H,7-11,15H2,1-6H3,(H,25,28).
What are the key properties of N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide?
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide is sourced from PubChem (CID 23037899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).