ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate

C20H25NO3 — CID 66994240

IUPACethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2c(CC)cccc2CC)cc1OCC
InChIInChI=1S/C20H25NO3/c1-5-14-10-9-11-15(6-2)19(14)17-12-18(23-7-3)16(13-21-17)20(22)24-8-4/h9-13H,5-8H2,1-4H3
InChIKeyNEBCRYWDKNVLOB-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.45
Rot. Bonds7

About ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate

ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate (PubChem CID 66994240) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate
PubChem CID66994240
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2c(CC)cccc2CC)cc1OCC
InChIInChI=1S/C20H25NO3/c1-5-14-10-9-11-15(6-2)19(14)17-12-18(23-7-3)16(13-21-17)20(22)24-8-4/h9-13H,5-8H2,1-4H3
InChIKeyNEBCRYWDKNVLOB-UHFFFAOYSA-N
XLogP4.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate 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 ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate (CID 66994240) is ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate is CCOC(=O)c1cnc(-c2c(CC)cccc2CC)cc1OCC.
What is the InChIKey of ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate?
The InChIKey is NEBCRYWDKNVLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-14-10-9-11-15(6-2)19(14)17-12-18(23-7-3)16(13-21-17)20(22)24-8-4/h9-13H,5-8H2,1-4H3.
What are the key properties of ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate?
ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,6-diethylphenyl)-4-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 66994240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).