diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate

C19H23NO4 — CID 45036229

IUPACdiethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3
InChIKeyVYTYJONYUYFQMW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.05
Rot. Bonds5

About diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate

diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate (PubChem CID 45036229) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
PubChem CID45036229
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namediethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3
InChIKeyVYTYJONYUYFQMW-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate (CID 45036229) is diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(c2ccccc2)C(C(=O)OCC)=C1C.
What is the InChIKey of diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate?
The InChIKey is VYTYJONYUYFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)16(19(22)24-6-2)17(20-13(15)4)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3.
What are the key properties of diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate?
diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,6-dimethyl-2-phenyl-1,2-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 45036229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).