N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)pyridine-3-carboxamide

• ChemBase ID: 484102
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCCN2CCCCC2)ccc1)c1cnccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCCN1CCCCC1)c1cccnc1
• InChI: InChI=1S/C23H29N3O2/c27-23(20-7-5-11-24-17-20)26(21-9-10-21)18-19-6-4-8-22(16-19)28-15-14-25-12-2-1-3-13-25/h4-8,11,16-17,21H,1-3,9-10,12-15,18H2
• InChIKey: SXMIZNBIWAUCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-N-{3-[2-(1-piperidinyl)ethoxy]benzyl}nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1679729
• LogD (pH = 7.4): 1.4940414
• Log P: 2.954943
• Molar Refractivity: 111.221 cm^3
• Polarizability: 42.8583 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.31
• LOG S: -3.08
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8