N-2-Pyridinylacetamide

C7H8N2OCAS 5231-96-9136.15 g/mol

Open in Covalent MOL file
ONHN
Amide

Properties

Molecular formula
C7H8N2O
Molar mass
136.15 g/mol
Exact mass
136.0637 Da
Melting point
69–71 °C
logP
1.04Crippen estimate
Polar surface area
42.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
5231-96-9
SMILES
CC(=O)NC1=CC=CC=N1
InChIKey
QROKOTBWFZITJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.55 (dd, J = 4.9, 1.8 Hz, 1H), 7.61 (td, J = 7.7, 1.8 Hz, 1H), 7.41 (dd, J = 7.7, 1.4 Hz, 1H), 7.40 (br s, 1H), 7.01 (ddd, J = 7.7, 4.9, 1.4 Hz, 1H), 2.02 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 171.1, 159.6, 150.1, 136.2, 119.4, 115.7, 19.7.
[M + H]+
[M + H]+ Calcd for C7H9N2O 137.0709
[M + Na]+
[M + Na]+ Calcd for C7H8N2NaO 159.0529
[M − H]−
[M − H]− Calcd for C7H7N2O 135.0564
Elemental analysis
Anal. Calcd for C7H8N2O: C, 61.75; H, 5.92; N, 20.58.

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Names and synonyms

8 names
  • Acetamide, N-2-pyridinyl-
  • Acetamide, N-2-pyridyl-
  • Pyridine, 2-acetamido-
  • 2-Acetamidopyridine
  • 2-Acetylaminopyridine
  • N-2-Pyridylacetamide
  • N-(2-Pyridinyl)acetamide
  • NSC 28291

Work with N-2-Pyridinylacetamide

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

2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-857 % similar 2-Acetamido-5-fluoropyridine100304-88-953 % similar N-(6-Aminopyridin-2-yl)acetamide1075-62-353 % similar 2-Acetamido-5-aminopyridine29958-14-353 % similar 2-Acetamido-5-bromopyridine7169-97-353 % similar 2-(Boc-amino)pyridine38427-94-053 % similar Acetanilide103-84-452 % similar 2-Pyridylthiourea14294-11-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-methylnicotinaldehyde1023814-35-8 N′-Methylnicotinamide114-33-0 3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine20348-23-6 2-Acetyl-3-methylpyrazine23787-80-6 4-Aminobenzamide2835-68-9 Salicylhydrazone3291-00-7 3-Aminobenzamide3544-24-9 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-4

Elsewhere

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