chempirical

1-[4-(1H-Indol-3-yl)-1(4H)-pyridinyl]ethanone

C15H14N2OCAS 34981-12-9238.29 g/mol

Open in Covalent MOL file
ONNH
AlkeneAmide

Properties

Molecular formula
C15H14N2O
Molar mass
238.29 g/mol
Exact mass
238.1106 Da
Melting point
155 °C
logP
3.14Crippen estimate
Polar surface area
36.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
34981-12-9
SMILES
CC(=O)N1C=CC(c2c[nH]c3ccccc23)C=C1
InChIKey
UQUYUXAIENZBMB-UHFFFAOYSA-N
InChI
InChI=1S/C15H14N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-10,12,16H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Ethanone, 1-[4-(1H-indol-3-yl)-1(4H)-pyridinyl]-
  • Pyridine, 1-acetyl-1,4-dihydro-4-(1H-indol-3-yl)-
  • Pyridine, 1-acetyl-1,4-dihydro-4-indol-3-yl-
  • 1-[4-(1H-Indol-3-yl)-4H-pyridin-1-yl]ethanone
  • 1-[4-(1H-Indol-3-yl)pyridin-1(4H)-yl]ethan-1-one
  • 1-[4-(1H-Indol-3-yl)-1,4-dihydropyridin-1-yl]ethan-1-one

Work with 1-[4-(1H-Indol-3-yl)-1(4H)-pyridinyl]ethanone

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

3-Acetylindole703-80-044 % similar Bisindolylmaleimide V113963-68-140 % similar Indole-3-acetone1201-26-939 % similar Indoxyl acetate608-08-239 % similar Indole-3-carboxylic acid771-50-638 % similar 3-(4-Piperidinyl)-1H-indole17403-09-737 % similar Ethyl indole-3-carboxylate776-41-037 % similar Indole-3-glyoxylic acid1477-49-236 % similar

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

Same formula

Semaxinib204005-46-9 10,11-Dihydrocarbamazepine3564-73-6

Elsewhere

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