5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate

C25H27NO5 — CID 71723285

IUPAC5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C(=O)OC)=CC1c1ccc(C)cc1
InChIInChI=1S/C25H27NO5/c1-6-31-25(28)23-17(3)26(19-11-13-20(29-4)14-12-19)22(24(27)30-5)15-21(23)18-9-7-16(2)8-10-18/h7-15,21H,6H2,1-5H3
InChIKeyDXFFDWLYZNSMFQ-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.50
Rot. Bonds6

About 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate

5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate (PubChem CID 71723285) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate
PubChem CID71723285
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C(=O)OC)=CC1c1ccc(C)cc1
InChIInChI=1S/C25H27NO5/c1-6-31-25(28)23-17(3)26(19-11-13-20(29-4)14-12-19)22(24(27)30-5)15-21(23)18-9-7-16(2)8-10-18/h7-15,21H,6H2,1-5H3
InChIKeyDXFFDWLYZNSMFQ-UHFFFAOYSA-N
XLogP4.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
CID 71723433
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
triethyl 1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,4,5-tricarboxylate
CID 102432516
diethyl 4-(furan-2-yl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 102432514
methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate
CID 102199483
4-[(6R)-5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate
CID 2537953
ethyl 6-(2,4-dimethoxyphenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 24503020
diethyl 6-amino-5-cyano-1,4-bis(4-methoxyphenyl)-4H-pyridine-2,3-dicarboxylate
CID 137332333
ethyl 6-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 24615283
ethyl 4-(4-methoxyphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920888
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
ethyl (6R)-6-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8650259

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate (CID 71723285) is 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C(=O)OC)=CC1c1ccc(C)cc1.
What is the InChIKey of 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate?
The InChIKey is DXFFDWLYZNSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-6-31-25(28)23-17(3)26(19-11-13-20(29-4)14-12-19)22(24(27)30-5)15-21(23)18-9-7-16(2)8-10-18/h7-15,21H,6H2,1-5H3.
What are the key properties of 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate?
5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate has a molecular weight of 421.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate is sourced from PubChem (CID 71723285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).