N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide

C24H34N2O2 — CID 23037880

IUPACN-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(CC)cc(=O)c(C(=O)Nc2c(C)cccc2C)c1CC
InChIInChI=1S/C24H34N2O2/c1-6-9-10-11-15-26-19(7-2)16-21(27)22(20(26)8-3)24(28)25-23-17(4)13-12-14-18(23)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,28)
InChIKeyKCEYJFLMSFMYAB-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.42
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide

N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide (PubChem CID 23037880) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide
PubChem CID23037880
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCn1c(CC)cc(=O)c(C(=O)Nc2c(C)cccc2C)c1CC
InChIInChI=1S/C24H34N2O2/c1-6-9-10-11-15-26-19(7-2)16-21(27)22(20(26)8-3)24(28)25-23-17(4)13-12-14-18(23)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,28)
InChIKeyKCEYJFLMSFMYAB-UHFFFAOYSA-N
XLogP5.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.42
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-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide (CID 23037880) is N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide is CCCCCCn1c(CC)cc(=O)c(C(=O)Nc2c(C)cccc2C)c1CC.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide?
The InChIKey is KCEYJFLMSFMYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-6-9-10-11-15-26-19(7-2)16-21(27)22(20(26)8-3)24(28)25-23-17(4)13-12-14-18(23)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,6-diethyl-1-hexyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23037880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).