diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate

C23H23NO4 — CID 12574220

IUPACdiethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C23H23NO4/c1-3-27-22(25)19-15-24(18-13-9-6-10-14-18)16-20(23(26)28-4-2)21(19)17-11-7-5-8-12-17/h5-16,21H,3-4H2,1-2H3
InChIKeyWFUYARDFDRGYFM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.18
Rot. Bonds6

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

diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 12574220) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID12574220
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namediethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C23H23NO4/c1-3-27-22(25)19-15-24(18-13-9-6-10-14-18)16-20(23(26)28-4-2)21(19)17-11-7-5-8-12-17/h5-16,21H,3-4H2,1-2H3
InChIKeyWFUYARDFDRGYFM-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (CID 12574220) is diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is WFUYARDFDRGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-27-22(25)19-15-24(18-13-9-6-10-14-18)16-20(23(26)28-4-2)21(19)17-11-7-5-8-12-17/h5-16,21H,3-4H2,1-2H3.
What are the key properties of diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 12574220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).