chempirical

3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate

C14H21NO4CAS 632-93-9267.32 g/mol

Open in Covalent MOL file
OONHOO
AlkeneEsterSecondary amine

Properties

Molecular formula
C14H21NO4
Molar mass
267.32 g/mol
Exact mass
267.1471 Da
Melting point
131–132 °C
logP
1.90Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
632-93-9
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C
InChIKey
CDVAIHNNWWJFJW-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3

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Names and synonyms

22 names · show all
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, 3,5-diethyl ester
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester
  • 3,5-Dicarbethoxy-1,4-dihydrocollidine
  • 1,4-Dihydro-2,4,6-trimethyl-3,5-dicarbethoxypyridine
  • 1,4-Dihydro-3,5-dicarbethoxycollidine
  • 3,5-Bis(ethoxycarbonyl)-1,4-dihydro-2,4,6-trimethylpyridine
  • 3,5-Diethoxycarbonyl-1,4-dihydro-2,4,6-trimethylpyridine
  • Diethyl 1,4-dihydro-2,4,6-trimethylpyridine-3,5-dicarboxylate
  • 3,5-Dicarbethoxy-1,4-dihydro-2,4,6-trimethylpyridine
  • 3,5-(Diethoxycarbonyl)-1,4-dihydrocollidine
  • 1,4-Dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylic acid diethyl ester
  • DDC
  • 3,5-Diethoxycarbonyl-1,4-dihydro-s-collidine
  • 3,5-Bis(ethoxycarbonyl)-1,4-dihydrocollidine
  • 2,4,6-Trimethyl-3,5-diethoxycarbonyl-1,4-dihydropyridine
  • DDC (porphyrinogen)
  • Diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 3,5-Bis(ethoxycarbonyl)-2,4,6-trimethyl-1,4-dihydropyridine
  • NSC 49528
  • NSC 8910
  • Diethyl 2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxylate
  • 3,5-Diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Work with 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hantzsch ester1149-23-157 % similar Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate33458-26-351 % similar Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5948-71-049 % similar Felodipine72509-76-348 % similar Felodipine86189-69-748 % similar 1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-947 % similar Diethyl oxalate95-92-147 % similar Ethyl 3-methyl-2-oxobutanoate20201-24-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate54278-10-3 2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate86770-31-2 Diethofencarb87130-20-9

Elsewhere

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