chempirical

1,1-Dimethylethyl 2-[[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate

C17H19N3O2CAS 198904-84-6297.36 g/mol

Open in Covalent MOL file
OOHNNN
Imine

Properties

Molecular formula
C17H19N3O2
Molar mass
297.36 g/mol
Exact mass
297.1477 Da
logP
3.81Crippen estimate
Polar surface area
67.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
198904-84-6
SMILES
CC(C)(C)OC(O)=NN=Cc1ccc(-c2ccccn2)cc1
InChIKey
PIYYEQIVVRRORO-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)

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Names and synonyms

2 names
  • Hydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methylene]-, 1,1-dimethylethyl ester
  • Hydrazinecarboxylic acid, [[4-(2-pyridinyl)phenyl]methylene]-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl 2-[[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate

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

1,1-Dimethylethyl 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylate198904-86-844 % similar 4-(2-Pyridinyl)benzaldehyde127406-56-841 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-839 % similar 1,1-Dimethylethyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-038 % similar 2-(4-Methylphenyl)pyridine4467-06-538 % similar 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-336 % similar 1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-136 % similar 2-Phenylpyridine1008-89-536 % similar

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

Same formula

1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine61338-13-4

Elsewhere

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