diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate

C23H27N3O4 — CID 10386798

IUPACdiethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1
InChIInChI=1S/C23H27N3O4/c1-6-29-22(27)19-15(3)25(5)16(4)20(23(28)30-7-2)21(19)17-9-8-10-18(13-17)26-12-11-24-14-26/h8-14,21H,6-7H2,1-5H3
InChIKeyKELXMCLTRLFGNQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.58
Rot. Bonds6

About diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate

diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 10386798) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID10386798
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namediethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1
InChIInChI=1S/C23H27N3O4/c1-6-29-22(27)19-15(3)25(5)16(4)20(23(28)30-7-2)21(19)17-9-8-10-18(13-17)26-12-11-24-14-26/h8-14,21H,6-7H2,1-5H3
InChIKeyKELXMCLTRLFGNQ-UHFFFAOYSA-N
XLogP3.58
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-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

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (CID 10386798) is diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1.
What is the InChIKey of diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is KELXMCLTRLFGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-6-29-22(27)19-15(3)25(5)16(4)20(23(28)30-7-2)21(19)17-9-8-10-18(13-17)26-12-11-24-14-26/h8-14,21H,6-7H2,1-5H3.
What are the key properties of diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 10386798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).