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

C26H29NO4 — CID 1015745

IUPACdiethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C26H29NO4/c1-5-30-25(28)22-18(3)27(17-20-13-9-7-10-14-20)19(4)23(26(29)31-6-2)24(22)21-15-11-8-12-16-21/h7-16,24H,5-6,17H2,1-4H3
InChIKeyKTGJLENRJUPZRD-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.96
Rot. Bonds7

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

diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1015745) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1015745
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Namediethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C26H29NO4/c1-5-30-25(28)22-18(3)27(17-20-13-9-7-10-14-20)19(4)23(26(29)31-6-2)24(22)21-15-11-8-12-16-21/h7-16,24H,5-6,17H2,1-4H3
InChIKeyKTGJLENRJUPZRD-UHFFFAOYSA-N
XLogP4.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Mrs1097
CID 9953766
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-1,2,6-trimethyl-4-phenyl-, diethyl ester
CID 623049
Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10620479
Dimethyl 1-benzyl-4-(2,5-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1336676
3-O-ethyl 5-O-methyl 2-[2-[benzyl(methyl)amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13663159
Dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 743975
Diethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10549773
3-O-ethyl 5-O-(3-phenylpropyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10791668
Dimethyl 1,2,6-trimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 743917
Dimethyl 4-(biphenyl-4-yl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1123517
Dimethyl 4-(3,4-difluorophenyl)-1-(4-methylbenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3692778
Diethyl 4-ethyl-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 9841022

Frequently Asked Questions

What is the IUPAC name of diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 1015745) is diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is KTGJLENRJUPZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-5-30-25(28)22-18(3)27(17-20-13-9-7-10-14-20)19(4)23(26(29)31-6-2)24(22)21-15-11-8-12-16-21/h7-16,24H,5-6,17H2,1-4H3.
What are the key properties of diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 419.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).