N-benzyl-2,6-dichloro-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

• ChemBase ID: 84473
• Molecular Formular: C19H15Cl2N3O
• Molecular Mass: 372.2479
• Monoisotopic Mass: 371.05921748
• SMILES: N(C(=O)c1cc(nc(c1)Cl)Cl)(Cc1cccnc1)Cc1ccccc1
• Canonical SMILES: Clc1nc(Cl)cc(c1)C(=O)N(Cc1cccnc1)Cc1ccccc1
• InChI: InChI=1S/C19H15Cl2N3O/c20-17-9-16(10-18(21)23-17)19(25)24(12-14-5-2-1-3-6-14)13-15-7-4-8-22-11-15/h1-11H,12-13H2
• InChIKey: KZBPCQAIHPNEKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2,6-dichloro-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
• IUPAC Traditional name: N-benzyl-2,6-dichloro-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
• Synonyms: N4-benzyl-N4-(3-pyridylmethyl)-2,6-dichloroisonicotinamide

Database IDs

• MDL Number: MFCD00179778
• PubChem SID: 162071589
• PubChem CID: 2782117

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.861032
• LogD (pH = 7.4): 3.932274
• Log P: 3.9332833
• Molar Refractivity: 101.5734 cm^3
• Polarizability: 38.10853 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true