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

C25H27NO5 — CID 2898344

IUPACdimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1
InChIInChI=1S/C25H27NO5/c1-5-31-20-13-11-19(12-14-20)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)18-9-7-6-8-10-18/h6-17,23H,5H2,1-4H3
InChIKeyZOGUQRLECXGTJK-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.36
Rot. Bonds7

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

dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2898344) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2898344
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Namedimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1
InChIInChI=1S/C25H27NO5/c1-5-31-20-13-11-19(12-14-20)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)18-9-7-6-8-10-18/h6-17,23H,5H2,1-4H3
InChIKeyZOGUQRLECXGTJK-UHFFFAOYSA-N
XLogP4.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate (CID 2898344) is dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is CCOc1ccc(C2C(C(=O)OC)=CN(C(C)c3ccccc3)C=C2C(=O)OC)cc1.
What is the InChIKey of dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ZOGUQRLECXGTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-5-31-20-13-11-19(12-14-20)23-21(24(27)29-3)15-26(16-22(23)25(28)30-4)17(2)18-9-7-6-8-10-18/h6-17,23H,5H2,1-4H3.
What are the key properties of dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 421.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-ethoxyphenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2898344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).