(E)-2-cyano-3-[4-(3-piperidin-1-ylpropanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(3-piperidin-1-ylpropanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-[3-(1-piperidyl)propanoylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[[1-oxo-3-(1-piperidinyl)propyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(3-piperidin-1-ylpropanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(3-piperidinopropanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]acrylamide Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)NC2=C3C(=CNC3=NC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

C1CCN(CC1)CCC(=O)NC2=C3C(=CNC3=NC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H22N6O2/c20-11-13(18(21)27)10-14-12-23-19-17(14)15(4-6-22-19)24-16(26)5-9-25-7-2-1-3-8-25/h4,6,10,12H,1-3,5,7-9H2,(H2,21,27)(H2,22,23,24,26)/b13-10+