diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C25H27NO6 — CID 12574230

IUPACdiethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1
InChIInChI=1S/C25H27NO6/c1-5-31-24(27)21-15-26(18-9-13-20(30-4)14-10-18)16-22(25(28)32-6-2)23(21)17-7-11-19(29-3)12-8-17/h7-16,23H,5-6H2,1-4H3
InChIKeyFUXTXYUSLGHRNR-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.20
Rot. Bonds8

About diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 12574230) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID12574230
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Namediethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1
InChIInChI=1S/C25H27NO6/c1-5-31-24(27)21-15-26(18-9-13-20(30-4)14-10-18)16-22(25(28)32-6-2)23(21)17-7-11-19(29-3)12-8-17/h7-16,23H,5-6H2,1-4H3
InChIKeyFUXTXYUSLGHRNR-UHFFFAOYSA-N
XLogP4.20
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 12574230) is diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1.
What is the InChIKey of diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is FUXTXYUSLGHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-5-31-24(27)21-15-26(18-9-13-20(30-4)14-10-18)16-22(25(28)32-6-2)23(21)17-7-11-19(29-3)12-8-17/h7-16,23H,5-6H2,1-4H3.
What are the key properties of diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4-bis(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 12574230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).