dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate

C25H27NO4 — CID 571073

IUPACdimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1
InChIInChI=1S/C25H27NO4/c1-5-18-11-13-20(14-12-18)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)19-9-7-6-8-10-19/h6-17,23H,5H2,1-4H3
InChIKeyZIWLEAYZWSRWLN-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.52
Rot. Bonds6

About dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 571073) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID571073
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namedimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1
InChIInChI=1S/C25H27NO4/c1-5-18-11-13-20(14-12-18)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)19-9-7-6-8-10-19/h6-17,23H,5H2,1-4H3
InChIKeyZIWLEAYZWSRWLN-UHFFFAOYSA-N
XLogP4.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (CID 571073) is dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is CCc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1.
What is the InChIKey of dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ZIWLEAYZWSRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-5-18-11-13-20(14-12-18)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)19-9-7-6-8-10-19/h6-17,23H,5H2,1-4H3.
What are the key properties of dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 405.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-ethylphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 571073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).