(E)-N-[(2S)-1-azanyl-3-pyridin-4-yl-propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

Systemtic Name: (E)-N-[(2S)-1-azanyl-3-pyridin-4-yl-propan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide Openeye Name: (E)-N-[(1S)-1-(aminomethyl)-2-(4-pyridyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide CAS Name: (E)-N-[(2S)-1-amino-3-pyridin-4-ylpropan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propenamide IUPAC Name: (E)-N-[(2S)-1-amino-3-pyridin-4-ylpropan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide Traditional Name: (E)-N-[(1S)-1-(aminomethyl)-2-(4-pyridyl)ethyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC=C2C=CC(=O)NC(CC3=CC=NC=C3)CN)N=C1

Isomeric SMILES

C1=CC2=C(NC=C2/C=C/C(=O)N[C@@H](CC3=CC=NC=C3)CN)N=C1

InChI

InChI=1S/C18H19N5O/c19-11-15(10-13-5-8-20-9-6-13)23-17(24)4-3-14-12-22-18-16(14)2-1-7-21-18/h1-9,12,15H,10-11,19H2,(H,21,22)(H,23,24)/b4-3+/t15-/m0/s1