diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

C20H25NO4 — CID 623049

IUPACdiethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-12,18H,6-7H2,1-5H3
InChIKeyULYPIXORALMQAH-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.39
Rot. Bonds5

About diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 623049) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID623049
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namediethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-12,18H,6-7H2,1-5H3
InChIKeyULYPIXORALMQAH-UHFFFAOYSA-N
XLogP3.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 623049) is diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ULYPIXORALMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-12,18H,6-7H2,1-5H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 623049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).