diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate

C24H23NO4 — CID 102202429

IUPACdiethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)OCC)c(Cc2ccccc2)n1
InChIInChI=1S/C24H23NO4/c1-3-28-23(26)21-16-19(18-13-9-6-10-14-18)22(24(27)29-4-2)20(25-21)15-17-11-7-5-8-12-17/h5-14,16H,3-4,15H2,1-2H3
InChIKeyZADNDCGNWHKELB-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.69
Rot. Bonds7

About diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate

diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate (PubChem CID 102202429) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
PubChem CID102202429
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namediethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)OCC)c(Cc2ccccc2)n1
InChIInChI=1S/C24H23NO4/c1-3-28-23(26)21-16-19(18-13-9-6-10-14-18)22(24(27)29-4-2)20(25-21)15-17-11-7-5-8-12-17/h5-14,16H,3-4,15H2,1-2H3
InChIKeyZADNDCGNWHKELB-UHFFFAOYSA-N
XLogP4.69
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-benzyl-5-methylpyridine-2-carboxylate
CID 25194907
ethyl 2-benzyl-6-(3-chlorophenyl)-4-methylpyridine-3-carboxylate
CID 175029958
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
CID 102202438
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622

Frequently Asked Questions

What is the IUPAC name of diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate (CID 102202429) is diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate is CCOC(=O)c1cc(-c2ccccc2)c(C(=O)OCC)c(Cc2ccccc2)n1.
What is the InChIKey of diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate?
The InChIKey is ZADNDCGNWHKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-28-23(26)21-16-19(18-13-9-6-10-14-18)22(24(27)29-4-2)20(25-21)15-17-11-7-5-8-12-17/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate?
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate is sourced from PubChem (CID 102202429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).