CAS 1149-23-1|Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate|3,5-diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|etidin|2,6-二甲基-1,4-二氢-3,5-吡啶二羧酸二乙酯|Diethyl 1,4-di...

General Information

Structure

Molecular Formula

C₁₃H₁₉NO₄

Molecular Mass

253.29426

Exact Mass

253.13140809

Charge

InChI

InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3

InChIKey

LJXTYJXBORAIHX-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1=C(C)NC(=C(C1)C(=O)OCC)C

Isomeric Smiles

C1(=C(CC(=C(N1)C)C(=O)OCC)C(=O)OCC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.1683029

LogD (pH = 7.4)

1.1683029

Log P

1.1683029

Molar Refractivity

69.6936

Polarizability

26.160912

Polar Surface Area

64.63

Rotatable Bonds

Lipinski's Rule of Five

true

Acid pKa

19.642801

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate2,6-二甲基-1,4-二氢-3,5-吡啶二羧酸二乙酯Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateDiethyl 1,4-dihydro-2,6-dimethyl-3-5-pyridinedicarboxylateDiludine1,4-Dihydro-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl esterDiethyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate

Names and Identifiers

Registration numbers

EC Number

MDL Number

CAS Number

PubChem SID

PubChem CID