chempirical

Nicaraven

C15H16N4O2CAS 79455-30-4284.32 g/mol

Open in Covalent MOL file
NHONNHON

Properties

Molecular formula
C15H16N4O2
Molar mass
284.32 g/mol
Exact mass
284.1273 Da
logP
2.17Crippen estimate
Polar surface area
91.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
79455-30-4
SMILES
CC(CN=C(O)c1cccnc1)N=C(O)c1cccnc1
InChIKey
KTXBOOWDLPUROC-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)

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

Names and synonyms

5 names
  • 3-Pyridinecarboxamide, N,N′-(1-methyl-1,2-ethanediyl)bis-
  • N,N′-(1-Methyl-1,2-ethanediyl)bis[3-pyridinecarboxamide]
  • AVS
  • 1,2-Bis(nicotinamido)propane
  • Antevas

Work with Nicaraven

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-(Hydroxymethyl)nicotinamide3569-99-159 % similar N-(2-Hydroxyethyl)nicotinamide6265-73-256 % similar Nicotinyl methylamide114-33-054 % similar Nicotinuric acid583-08-453 % similar Nicotinyl hydrazide553-53-750 % similar 4-[(3-Pyridinylcarbonyl)amino]butanoic acid34562-97-549 % similar Nicotinanilide1752-96-149 % similar Nicorandil65141-46-045 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook