chempirical

Metyrapone

C14H14N2OCAS 54-36-4226.28 g/mol

Open in Covalent MOL file
ONN
Ketone

Properties

Molecular formula
C14H14N2O
Molar mass
226.28 g/mol
Exact mass
226.1106 Da
Melting point
50–51 °C
logP
2.64Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
54-36-4
SMILES
CC(C)(C(=O)c1cccnc1)c1cccnc1
InChIKey
FJLBFSROUSIWMA-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

21 names · show all
  • 1-Propanone, 2-methyl-1,2-di-3-pyridinyl-
  • 1-Propanone, 2-methyl-1,2-di-3-pyridyl-
  • 2-Methyl-1,2-di-3-pyridinyl-1-propanone
  • 1,2-Bis(3-pyridyl)-2-methyl-1-propanone
  • Mepyrapone
  • Methapyrapone
  • Methopirapone
  • Methopyrapone
  • Methopyrinine
  • 2-Methyl-1,2-bis(3-pyridyl)-1-propanone
  • 2-Methyl-1,2-di(β-pyridyl)-1-propanone
  • 2-Methyl-1,2-di-3-pyridyl-1-propanone
  • Metopirone
  • Metopyrone
  • Su 4885
  • Metopiron
  • Metyrapon
  • Methopyrone
  • Methbipyranone
  • Metroprione
  • NSC 25265

Work with Metyrapone

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-Propionylpyridine1570-48-549 % similar 3-Acetylpyridine350-03-849 % similar Sodium nicotinate54-86-445 % similar Chromium nicotinate64452-96-645 % similar Methyl nicotinate93-60-745 % similar Methyl β-oxo-3-pyridinepropanoate54950-20-842 % similar 3-(2-Bromoacetyl)pyridine hydrobromide17694-68-742 % similar N,N-Diethylnicotinamide59-26-742 % similar

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

Same formula

Akardite ii13114-72-2 N-(2,6-Dimethylphenyl)-2-pyridinecarboxamide39627-98-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook