diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate

C26H25NO4 — CID 10573891

IUPACdiethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1
InChIInChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
InChIKeyTVZNWOVBAQXKHS-WUKNDPDISA-N
MW415.49 g/mol
LogP5.58
Rot. Bonds7

About diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate

diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate (PubChem CID 10573891) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate
PubChem CID10573891
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Namediethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1
InChIInChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+
InChIKeyTVZNWOVBAQXKHS-WUKNDPDISA-N
XLogP5.58
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate (CID 10573891) is diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1/C=C/c1ccccc1.
What is the InChIKey of diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate?
The InChIKey is TVZNWOVBAQXKHS-WUKNDPDISA-N. The full InChI is InChI=1S/C26H25NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17H,4-5H2,1-3H3/b17-16+.
What are the key properties of diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate?
diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate has a molecular weight of 415.49 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate is sourced from PubChem (CID 10573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).