N-methyl-N-[2-(methylamino)ethyl]-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 320876
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: C(=O)(N1CCC(CC1)CCc1ccccc1)c1cnc(N(CCNC)C)cc1
• Canonical SMILES: CNCCN(c1ccc(cn1)C(=O)N1CCC(CC1)CCc1ccccc1)C
• InChI: InChI=1S/C23H32N4O/c1-24-14-17-26(2)22-11-10-21(18-25-22)23(28)27-15-12-20(13-16-27)9-8-19-6-4-3-5-7-19/h3-7,10-11,18,20,24H,8-9,12-17H2,1-2H3
• InChIKey: IQCJKRHPFNNBDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(methylamino)ethyl]-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-N-[2-(methylamino)ethyl]-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N,N'-dimethyl-N-(5-{[4-(2-phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37626106
• LogD (pH = 7.4): 1.4678516
• Log P: 3.5519903
• Molar Refractivity: 116.227 cm^3
• Polarizability: 43.985657 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.03
• LOG S: -4.56
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 8