N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C20H13N5OCAS 1093222-27-5339.36 g/mol

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NOHNHNNN
AmideNitrile

Properties

Molecular formula
C20H13N5O
Molar mass
339.36 g/mol
Exact mass
339.1120 Da
logP
3.75Crippen estimate
Polar surface area
94.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1093222-27-5
SMILES
C1=CC(=CN=C1)C(=O)NC2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)C#N
InChIKey
JTSLALYXYSRPGW-UHFFFAOYSA-N
InChI
InChI=1S/C20H13N5O/c21-9-13-3-5-14(6-4-13)16-8-17-18(12-24-19(17)23-11-16)25-20(26)15-2-1-7-22-10-15/h1-8,10-12H,(H,23,24)(H,25,26)

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Names and synonyms

1 names
  • N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-B]pyridin-3-yl]-3-pyridinecarboxamide

Work with N-[5-(4-Cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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