diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate

C15H21NO4 — CID 10891221

IUPACdiethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1CC
InChIInChI=1S/C15H21NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h6-8H2,1-5H3
InChIKeyMZUUZRYSBHOJQX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds5

About diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate

diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 10891221) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID10891221
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namediethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1CC
InChIInChI=1S/C15H21NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h6-8H2,1-5H3
InChIKeyMZUUZRYSBHOJQX-UHFFFAOYSA-N
XLogP2.61
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate 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 diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate (CID 10891221) is diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1CC.
What is the InChIKey of diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is MZUUZRYSBHOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h6-8H2,1-5H3.
What are the key properties of diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 10891221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).