diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C26H29NO5 — CID 1261227

IUPACdiethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C26H29NO5/c1-6-31-25(28)20-15-27(22-14-17(3)12-13-18(22)4)16-21(26(29)32-7-2)24(20)19-10-8-9-11-23(19)30-5/h8-16,24H,6-7H2,1-5H3
InChIKeyHCIMXHPQWNFZPY-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.81
Rot. Bonds7

About diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1261227) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1261227
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Namediethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C26H29NO5/c1-6-31-25(28)20-15-27(22-14-17(3)12-13-18(22)4)16-21(26(29)32-7-2)24(20)19-10-8-9-11-23(19)30-5/h8-16,24H,6-7H2,1-5H3
InChIKeyHCIMXHPQWNFZPY-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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Frequently Asked Questions

What is the IUPAC name of diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1261227) is diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccccc1OC.
What is the InChIKey of diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is HCIMXHPQWNFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-6-31-25(28)20-15-27(22-14-17(3)12-13-18(22)4)16-21(26(29)32-7-2)24(20)19-10-8-9-11-23(19)30-5/h8-16,24H,6-7H2,1-5H3.
What are the key properties of diethyl 1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 1-(2,5-dimethylphenyl)-4-(2-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-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1261227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).