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

C19H25NO4 — CID 118718937

IUPACdiethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(C)N(C)CC1C(=O)OCC
InChIInChI=1S/C19H25NO4/c1-5-23-18(21)15-12-20(4)13(3)16(14-10-8-7-9-11-14)17(15)19(22)24-6-2/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyIMEOMAXRJGQOQC-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.52
Rot. Bonds5

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

diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate (PubChem CID 118718937) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate
PubChem CID118718937
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namediethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(C)N(C)CC1C(=O)OCC
InChIInChI=1S/C19H25NO4/c1-5-23-18(21)15-12-20(4)13(3)16(14-10-8-7-9-11-14)17(15)19(22)24-6-2/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyIMEOMAXRJGQOQC-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate?
The IUPAC name of diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate (CID 118718937) is diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate?
The canonical SMILES for diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate is CCOC(=O)C1=C(c2ccccc2)C(C)N(C)CC1C(=O)OCC.
What is the InChIKey of diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate?
The InChIKey is IMEOMAXRJGQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-23-18(21)15-12-20(4)13(3)16(14-10-8-7-9-11-14)17(15)19(22)24-6-2/h7-11,13,15H,5-6,12H2,1-4H3.
What are the key properties of diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate?
diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate has a molecular weight of 331.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,6-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine-3,4-dicarboxylate is sourced from PubChem (CID 118718937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).