chempirical

Wnt-C59

C25H21N3OCAS 1243243-89-1379.46 g/mol

Open in Covalent MOL file
NONHN
Amide

Properties

Molecular formula
C25H21N3O
Molar mass
379.46 g/mol
Exact mass
379.1685 Da
logP
5.30Crippen estimate
Polar surface area
54.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
1243243-89-1
SMILES
CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4
InChIKey
KHZOJCQBHJUJFY-UHFFFAOYSA-N
InChI
InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)

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Names and synonyms

1 names
  • 2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide

Work with Wnt-C59

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

Lgk-9741243244-14-549 % similar Imatinib152459-95-534 % similar 1,3,5-Tri(M-pyrid-3-ylphenyl)benzene921205-03-034 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-733 % similar 3-(4-Bromophenyl)pyridine129013-83-832 % similar 3-(3-Pyridyl)benzaldehyde131231-24-832 % similar 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid39091-01-531 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook