diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate

C21H27NO4 — CID 159419056

IUPACdiethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(CC)N(c2ccccc2)C(CC)=C(C(=O)OCC)C1
InChIInChI=1S/C21H27NO4/c1-5-18-16(20(23)25-7-3)14-17(21(24)26-8-4)19(6-2)22(18)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
InChIKeyLPNNJGDKNKHXGF-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.35
Rot. Bonds7

About diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate

diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 159419056) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID159419056
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Namediethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(CC)N(c2ccccc2)C(CC)=C(C(=O)OCC)C1
InChIInChI=1S/C21H27NO4/c1-5-18-16(20(23)25-7-3)14-17(21(24)26-8-4)19(6-2)22(18)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
InChIKeyLPNNJGDKNKHXGF-UHFFFAOYSA-N
XLogP4.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 2,6-diethyl-1-phenyl-4H-pyridine-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

2-[3-(Ethoxycarbonyl)-2-methyl-5-oxo-1-phenyl-2-pyrrolin-4-yl]acetic acid
CID 654356
1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester
CID 78608
ethyl (Z)-3-anilino-2-methylbut-2-enoate
CID 10036371
Ethyl 1-(4-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11652198
diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
CID 1127137
1-Cyclopentene-1-carboxylic acid, 2-(phenylamino)-, ethyl ester
CID 11379241
Ethyl 2-anilinocyclohex-1-ene-1-carboxylate
CID 46184495
Ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11637841
diethyl 5-acetyl-1-(4-fluorophenyl)-6-methyl-4H-pyridine-2,3-dicarboxylate
CID 44551350
Diethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515589
Diethyl 1-(2-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515606
Diethyl 1-(3-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515614

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate (CID 159419056) is diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(CC)N(c2ccccc2)C(CC)=C(C(=O)OCC)C1.
What is the InChIKey of diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is LPNNJGDKNKHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-18-16(20(23)25-7-3)14-17(21(24)26-8-4)19(6-2)22(18)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3.
What are the key properties of diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 357.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-diethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 159419056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).