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

C26H29NO5 — CID 3792591

IUPACdiethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1
InChIInChI=1S/C26H29NO5/c1-6-31-25(28)22-15-27(20-13-17(3)12-18(4)14-20)16-23(26(29)32-7-2)24(22)19-8-10-21(30-5)11-9-19/h8-16,24H,6-7H2,1-5H3
InChIKeyFTNVACSYWFUHSL-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.81
Rot. Bonds7

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

diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 3792591) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID3792591
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Namediethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1
InChIInChI=1S/C26H29NO5/c1-6-31-25(28)22-15-27(20-13-17(3)12-18(4)14-20)16-23(26(29)32-7-2)24(22)19-8-10-21(30-5)11-9-19/h8-16,24H,6-7H2,1-5H3
InChIKeyFTNVACSYWFUHSL-UHFFFAOYSA-N
XLogP4.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 4-(3,4-dichlorophenyl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1039509
diethyl 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 21373629
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2949038
diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758718
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
diethyl 4-[3-[[2-[2-[2-[3-[3,5-bis(ethoxycarbonyl)-1-(4-methoxyphenyl)-4H-pyridin-4-yl]anilino]-2-oxoethoxy]phenoxy]acetyl]amino]phenyl]-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 101440790
diethyl 4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256229

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 3792591) is diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1.
What is the InChIKey of diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is FTNVACSYWFUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-6-31-25(28)22-15-27(20-13-17(3)12-18(4)14-20)16-23(26(29)32-7-2)24(22)19-8-10-21(30-5)11-9-19/h8-16,24H,6-7H2,1-5H3.
What are the key properties of diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 435.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 3792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).