Picotamide Monohydrate
[CAS# 80530-63-8]

Identification

• Name: Picotamide Monohydrate
• Synonyms: 4-Methoxy-N,N'-Bis(3-Pyridylmethyl)Benzene-1,3-Dicarboxamide Hydrate; 4-Methoxy-N,N'-Bis(3-Pyridylmethyl)Isophthalamide Hydrate; Prestwick_539
• Molecular Formula: C₂₁H₂₂N₄O₄
• Molecular Weight: 394.43
• CAS Registry Number: 80530-63-8
• SMILES: C3=C(CNC(=O)C1=C(OC)C=CC(=C1)C(=O)NCC2=CN=CC=C2)C=CC=N3.O
• InChI: 1S/C21H20N4O3.H2O/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16;/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27);1H2
• InChIKey: ICYQAMNVLLHURR-UHFFFAOYSA-N

Properties

• Boiling point: 668.1°C at 760 mmHg (Cal.)
• Flash point: 357.8°C (Cal.)