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

C24H25NO5 — CID 1215176

IUPACdiethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-29-23(26)20-15-25(18-11-13-19(28-3)14-12-18)16-21(24(27)30-5-2)22(20)17-9-7-6-8-10-17/h6-16,22H,4-5H2,1-3H3
InChIKeyVIRJKNQQIURAIJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.19
Rot. Bonds7

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

diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1215176) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1215176
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namediethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C24H25NO5/c1-4-29-23(26)20-15-25(18-11-13-19(28-3)14-12-18)16-21(24(27)30-5-2)22(20)17-9-7-6-8-10-17/h6-16,22H,4-5H2,1-3H3
InChIKeyVIRJKNQQIURAIJ-UHFFFAOYSA-N
XLogP4.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 1215176) is diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is VIRJKNQQIURAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-4-29-23(26)20-15-25(18-11-13-19(28-3)14-12-18)16-21(24(27)30-5-2)22(20)17-9-7-6-8-10-17/h6-16,22H,4-5H2,1-3H3.
What are the key properties of diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 407.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(4-methoxyphenyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1215176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).