Isonicotinamide

C6H6N2OCAS 1453-82-3122.13 g/mol

Open in Covalent MOL file
H2NON
Amide

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
Melting point
155–157 °C
logP
0.18Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1453-82-3
SMILES
NC(=O)c1ccncc1
InChIKey
VFQXVTODMYMSMJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

Weigh it out

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

Names and synonyms

10 names
  • 4-Pyridinecarboxamide
  • Isonicotinic acid amide
  • γ-Pyridinecarboxamide
  • 4-Carbamoylpyridine
  • 4-(Aminocarbonyl)pyridine
  • Isoniacinamide
  • 4-Amidopyridine
  • NSC 82353
  • Pyridine-4-carbamide
  • 4-Pyridinecarboxylic acid amide

Work with Isonicotinamide

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

Terephthalamide3010-82-065 % similar 4-Aminobenzamide2835-68-952 % similar 2-Aminoisonicotinamide13538-42-652 % similar 2-Chloroisonicotinamide100859-84-550 % similar 4-Acetylpyridine1122-54-950 % similar 4-Pyridinecarbothioamide2196-13-650 % similar 2-Bromoisonicotinamide29840-73-150 % similar Isoniazid54-85-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Acetylpyrazine22047-25-2 4-Aminonicotinaldehyde42373-30-8 5-Methylpyrazine-2-carboxaldehyde50866-30-3

Elsewhere

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