diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate

C20H23NO4 — CID 10521182

IUPACdiethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)17(20(23)25-7-3)18(21-15)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyMDKOUAVKZJMWCD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds6

About diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate

diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate (PubChem CID 10521182) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
PubChem CID10521182
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namediethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)17(20(23)25-7-3)18(21-15)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyMDKOUAVKZJMWCD-UHFFFAOYSA-N
XLogP3.97
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 2-ethyl-4-methyl-6-phenylpyridine-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

Related Compounds

5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 1-phenyl-3-prop-2-enylisoquinoline-4-carboxylate
CID 102482698
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 4-pentyl-2-phenylquinoline-3-carboxylate
CID 45141730
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate
CID 10573020

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate (CID 10521182) is diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate?
The InChIKey is MDKOUAVKZJMWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)17(20(23)25-7-3)18(21-15)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3.
What are the key properties of diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate?
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 10521182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).