N-(3-{4-[(diphenylmethyl)amino]piperidin-1-yl}phenyl)pyridine-3-carboxamide

• ChemBase ID: 456671
• Molecular Formular: C30H30N4O
• Molecular Mass: 462.5854
• Monoisotopic Mass: 462.2419616
• SMILES: C(=O)(c1cnccc1)Nc1cc(N2CCC(NC(c3ccccc3)c3ccccc3)CC2)ccc1
• Canonical SMILES: O=C(c1cccnc1)Nc1cccc(c1)N1CCC(CC1)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H30N4O/c35-30(25-13-8-18-31-22-25)33-27-14-7-15-28(21-27)34-19-16-26(17-20-34)32-29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-15,18,21-22,26,29,32H,16-17,19-20H2,(H,33,35)
• InChIKey: RDWLIXRSMJPAGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{4-[(diphenylmethyl)amino]piperidin-1-yl}phenyl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(3-{4-[(diphenylmethyl)amino]piperidin-1-yl}phenyl)pyridine-3-carboxamide
• Synonyms: N-(3-{4-[(diphenylmethyl)amino]-1-piperidinyl}phenyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.693346
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9910002
• LogD (pH = 7.4): 3.3240492
• Log P: 5.1079736
• Molar Refractivity: 142.915 cm^3
• Polarizability: 54.26322 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.79
• LOG S: -6.43
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 7