N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

C32H58N2O2 — CID 23037866

IUPACN,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1c(C)n(CCCCCCCCCCCC)c(C)cc1=O
InChIInChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-29(4)34(28(3)27-30(31)35)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36)
InChIKeyYRZJAIPSKODAMK-UHFFFAOYSA-N
MW502.83 g/mol
LogP9.04
Rot. Bonds23

About N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide

N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23037866) has the molecular formula C32H58N2O2 and a molecular weight of 502.83 g/mol. Its IUPAC name is N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23037866
Molecular FormulaC32H58N2O2
Molecular Weight502.83 g/mol
Exact Mass502.45
IUPAC NameN,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1c(C)n(CCCCCCCCCCCC)c(C)cc1=O
InChIInChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-29(4)34(28(3)27-30(31)35)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36)
InChIKeyYRZJAIPSKODAMK-UHFFFAOYSA-N
XLogP9.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.83
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 23037866) is N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCCCCCCCCCNC(=O)c1c(C)n(CCCCCCCCCCCC)c(C)cc1=O.
What is the InChIKey of N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is YRZJAIPSKODAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-33-32(36)31-29(4)34(28(3)27-30(31)35)26-24-22-20-18-16-14-12-10-8-6-2/h27H,5-26H2,1-4H3,(H,33,36).
What are the key properties of N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide?
N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 502.83 g/mol, XLogP of 9.04, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-didodecyl-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23037866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).