dimethyl(3-{2-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 405643
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: c1(C2CN(C(=O)c3ncccc3)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1C1CCCN(C1)C(=O)c1ccccn1)C
• InChI: InChI=1S/C19H27N5O/c1-22(2)11-6-13-23-14-10-21-18(23)16-7-5-12-24(15-16)19(25)17-8-3-4-9-20-17/h3-4,8-10,14,16H,5-7,11-13,15H2,1-2H3
• InChIKey: UBWVIVWQGDEBHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(pyridine-2-carbonyl)piperidin-3-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-{2-[1-(2-pyridinylcarbonyl)-3-piperidinyl]-1H-imidazol-1-yl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9113913
• LogD (pH = 7.4): -1.0979484
• Log P: 1.1719009
• Molar Refractivity: 99.2198 cm^3
• Polarizability: 37.80742 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.11
• LOG S: -3.09
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6