diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate

C26H29NO4 — CID 10047705

IUPACdiethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(C)cc1
InChIInChI=1S/C26H29NO4/c1-6-30-25(28)22-18(4)27(21-11-9-8-10-12-21)19(5)23(26(29)31-7-2)24(22)20-15-13-17(3)14-16-20/h8-16,24H,6-7H2,1-5H3
InChIKeyLXZXEEAIVNZBDE-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.27
Rot. Bonds6

About diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 10047705) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID10047705
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Namediethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(C)cc1
InChIInChI=1S/C26H29NO4/c1-6-30-25(28)22-18(4)27(21-11-9-8-10-12-21)19(5)23(26(29)31-7-2)24(22)20-15-13-17(3)14-16-20/h8-16,24H,6-7H2,1-5H3
InChIKeyLXZXEEAIVNZBDE-UHFFFAOYSA-N
XLogP5.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1116133
4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294745
3,5-Dimethyl 4-[4-(diethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 653396
Ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2848158
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-aminophenyl)-2,6-dimethyl-, diethyl ester
CID 210878
3,5-Pyridinedicarboxylic acid, 4-(4-(acetylamino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
CID 356261
diethyl 4-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 3093646
Dimethyl 2-(4-fluorophenyl)-6-methyl-4-(4-toluidino)-3,5-cyclohexadiene-1,3-dicarboxylate
CID 3384009
Dimethyl 4-[3-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44306875
Ethyl 4-[4-[4-(dimethylamino)phenyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 118731808
1-(3,4-Dimethyl-phenyl)-4-(2-fluoro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 630047
Propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 647313

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate (CID 10047705) is diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(C)cc1.
What is the InChIKey of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is LXZXEEAIVNZBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-6-30-25(28)22-18(4)27(21-11-9-8-10-12-21)19(5)23(26(29)31-7-2)24(22)20-15-13-17(3)14-16-20/h8-16,24H,6-7H2,1-5H3.
What are the key properties of diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 419.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(4-methylphenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 10047705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).