N,N-dimethyl-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}pyridin-2-amine

• ChemBase ID: 508888
• Molecular Formular: C17H22N4
• Molecular Mass: 282.38338
• Monoisotopic Mass: 282.18444672
• SMILES: N1(C(c2ncccc2)CCC1)Cc1cnc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cn1)CN1CCCC1c1ccccn1)C
• InChI: InChI=1S/C17H22N4/c1-20(2)17-9-8-14(12-19-17)13-21-11-5-7-16(21)15-6-3-4-10-18-15/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3
• InChIKey: FVGDFAQHWSCMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}pyridin-2-amine
• Synonyms: N,N-dimethyl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.69770896
• LogD (pH = 7.4): 2.3055255
• Log P: 2.6054978
• Molar Refractivity: 86.4057 cm^3
• Polarizability: 32.96369 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.32
• LOG S: -0.08
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4