1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide

C24H40N2O3 — CID 142275704

IUPAC1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide
SMILESCCCCCCc1ccc(C(=O)NCC(O)C2CCCCC2)c(=O)n1CCCC
InChIInChI=1S/C24H40N2O3/c1-3-5-7-11-14-20-15-16-21(24(29)26(20)17-6-4-2)23(28)25-18-22(27)19-12-9-8-10-13-19/h15-16,19,22,27H,3-14,17-18H2,1-2H3,(H,25,28)
InChIKeyLPRUVAVZGCSDSF-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.44
Rot. Bonds12

About 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide

1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide (PubChem CID 142275704) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide
PubChem CID142275704
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC Name1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide
SMILESCCCCCCc1ccc(C(=O)NCC(O)C2CCCCC2)c(=O)n1CCCC
InChIInChI=1S/C24H40N2O3/c1-3-5-7-11-14-20-15-16-21(24(29)26(20)17-6-4-2)23(28)25-18-22(27)19-12-9-8-10-13-19/h15-16,19,22,27H,3-14,17-18H2,1-2H3,(H,25,28)
InChIKeyLPRUVAVZGCSDSF-UHFFFAOYSA-N
XLogP4.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide (CID 142275704) is 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide is CCCCCCc1ccc(C(=O)NCC(O)C2CCCCC2)c(=O)n1CCCC.
What is the InChIKey of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide?
The InChIKey is LPRUVAVZGCSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-3-5-7-11-14-20-15-16-21(24(29)26(20)17-6-4-2)23(28)25-18-22(27)19-12-9-8-10-13-19/h15-16,19,22,27H,3-14,17-18H2,1-2H3,(H,25,28).
What are the key properties of 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide?
1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide has a molecular weight of 404.60 g/mol, XLogP of 4.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-cyclohexyl-2-hydroxyethyl)-6-hexyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 142275704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).