chempirical

Nicorandil

C8H9N3O4CAS 65141-46-0211.18 g/mol

Open in Covalent MOL file
ON+O−ONHON
Nitro

Properties

Molecular formula
C8H9N3O4
Molar mass
211.18 g/mol
Exact mass
211.0593 Da
Melting point
92.5 °C
logP
0.59Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
65141-46-0
SMILES
O=[N+]([O-])OCCN=C(O)c1cccnc1
InChIKey
LBHIOVVIQHSOQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

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Names and synonyms

15 names · show all
  • 3-Pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-
  • N-[2-(Nitrooxy)ethyl]-3-pyridinecarboxamide
  • N-(2-Hydroxyethyl)nicotinamide nitrate
  • SG 75
  • 2-Nicotinamidoethyl nitrate
  • N-(2-Nitrooxyethyl)nicotinamide
  • N-(2-Hydroxyethyl)nicotinamide nitrate ester
  • Sigmart
  • U 64417
  • Perisalol
  • Ikorel
  • Dancor
  • Coronel
  • 2-[(Pyridin-3-yl)formamido]ethyl nitrate
  • 2-(Pyridine-3-carbonylamino)ethyl nitrate

Work with Nicorandil

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

N-(2-Hydroxyethyl)nicotinamide6265-73-257 % similar 4-[(3-Pyridinylcarbonyl)amino]butanoic acid34562-97-553 % similar N-(Hydroxymethyl)nicotinamide3569-99-152 % similar Nicotinuric acid583-08-451 % similar Nicotinanilide1752-96-147 % similar Nicaraven79455-30-445 % similar Nicotinyl methylamide114-33-045 % similar Nicotinyl hydrazide553-53-745 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook