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

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Related Compounds

Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
Diethyl 2,6-Dimethyl-4-Phenylpyridine-3,5-Dicarboxylate
CID 629929
2,6-Dimethylpyridine-3,5-dicarboxylic acid
CID 296010
Ethyl 4-(dicyanomethyl)-2,6-dimethylpyridine-3-carboxylate
CID 658661
1H-Pyrrole-2,4-dicarboxylic acid, 1,3,5-trimethyl-, diethyl ester
CID 226756
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
Diethyl 4-(3-aminophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 2229373
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 99572
Diethyl 2,4-diethyl-6-phenylpyridine-3,5-dicarboxylate
CID 44413083
3-Ethyl 5-propyl 2,4-diethyl-6-phenylpyridine-3,5-dicarboxylate
CID 44413084
3-Ethyl 5-propyl 2-ethyl-6-phenyl-4-propylpyridine-3,5-dicarboxylate
CID 44413097

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).