5-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzene-1,3-dicarboxamide Openeye Name: 5-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]benzene-1,3-dicarboxamide CAS Name: 5-[[[6-[(2-aminoethylamino)-oxomethyl]-3-pyridinyl]amino]methyl]benzene-1,3-dicarboxamide IUPAC Name: 5-[[[6-(2-aminoethylcarbamoyl)pyridin-3-yl]amino]methyl]benzene-1,3-dicarboxamide Traditional Name: 5-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]isophthalamide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1NCC2=CC(=CC(=C2)C(=O)N)C(=O)N)C(=O)NCCN

Isomeric SMILES

C1=CC(=NC=C1NCC2=CC(=CC(=C2)C(=O)N)C(=O)N)C(=O)NCCN

InChI

InChI=1S/C17H20N6O3/c18-3-4-21-17(26)14-2-1-13(9-23-14)22-8-10-5-11(15(19)24)7-12(6-10)16(20)25/h1-2,5-7,9,22H,3-4,8,18H2,(H2,19,24)(H2,20,25)(H,21,26)