N-[6-(pyridine-3-imidamido)pyridin-2-yl]pyridine-3-carboximidamide

• ChemBase ID: 120483
• Molecular Formular: C17H15N7
• Molecular Mass: 317.3479
• Monoisotopic Mass: 317.13889352
• SMILES: C(=N)(Nc1nc(NC(=N)c2cnccc2)ccc1)c1cnccc1
• Canonical SMILES: N=C(c1cccnc1)Nc1cccc(n1)NC(=N)c1cccnc1
• InChI: InChI=1S/C17H15N7/c18-16(12-4-2-8-20-10-12)23-14-6-1-7-15(22-14)24-17(19)13-5-3-9-21-11-13/h1-11H,(H4,18,19,22,23,24)
• InChIKey: SBVWWPOQVCMLMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-(pyridine-3-imidamido)pyridin-2-yl]pyridine-3-carboximidamide
• IUPAC Traditional name: N-[6-(pyridine-3-imidamido)pyridin-2-yl]pyridine-3-carboximidamide
• Synonyms: N,N'-(pyridine-2,6-diyl)dinicotinimidamide

Database IDs

• PubChem SID: 162214836
• PubChem CID: 9582080

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): 1.4747447
• LogD (pH = 7.4): 1.7146735
• Log P: 1.7182362
• Molar Refractivity: 116.2253 cm^3
• Polarizability: 34.206944 Å^3
• Polar Surface Area: 110.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true