N-(2,2-dimethylpropyl)-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 331575
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NCC(C)(C)C)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NCC(C)(C)C)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C20H32N4O2/c1-20(2,3)15-22-18-5-4-16(14-21-18)19(25)24-8-6-17(7-9-24)23-10-12-26-13-11-23/h4-5,14,17H,6-13,15H2,1-3H3,(H,21,22)
• InChIKey: DRRHWUYXLMUADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethylpropyl)-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-(2,2-dimethylpropyl)-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-(2,2-dimethylpropyl)-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.45977497
• LogD (pH = 7.4): 1.2473822
• Log P: 1.5514112
• Molar Refractivity: 105.9481 cm^3
• Polarizability: 39.94641 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -3.32
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5