N-[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[[(2S)-2-hydroxypropyl]amino]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]-piperonylamide Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[C@@H](CNC1=NC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H17N3O4/c1-10(20)7-17-15-5-3-12(8-18-15)19-16(21)11-2-4-13-14(6-11)23-9-22-13/h2-6,8,10,20H,7,9H2,1H3,(H,17,18)(H,19,21)/t10-/m0/s1