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

C25H27NO4 — CID 1127137

IUPACdiethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C25H27NO4/c1-5-29-24(27)21-17(3)26(20-15-11-8-12-16-20)18(4)22(25(28)30-6-2)23(21)19-13-9-7-10-14-19/h7-16,23H,5-6H2,1-4H3
InChIKeyWMAHDMXTJVMTKJ-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.96
Rot. Bonds6

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

diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1127137) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1127137
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namediethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C25H27NO4/c1-5-29-24(27)21-17(3)26(20-15-11-8-12-16-20)18(4)22(25(28)30-6-2)23(21)19-13-9-7-10-14-19/h7-16,23H,5-6H2,1-4H3
InChIKeyWMAHDMXTJVMTKJ-UHFFFAOYSA-N
XLogP4.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (CID 1127137) is diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is WMAHDMXTJVMTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-5-29-24(27)21-17(3)26(20-15-11-8-12-16-20)18(4)22(25(28)30-6-2)23(21)19-13-9-7-10-14-19/h7-16,23H,5-6H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 405.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1127137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).