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

C20H25NO4 — CID 12828894

IUPACdiethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-13H,6-7H2,1-5H3
InChIKeyCWTQJKJHUXTXSE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.17
Rot. Bonds5

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

diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate (PubChem CID 12828894) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate
PubChem CID12828894
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namediethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-13H,6-7H2,1-5H3
InChIKeyCWTQJKJHUXTXSE-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate (CID 12828894) is diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)C(C(=O)OCC)=C1c1ccccc1.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate?
The InChIKey is CWTQJKJHUXTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-13H,6-7H2,1-5H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,6-trimethyl-4-phenyl-2H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 12828894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).