5-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)pyridin-2-amine

• ChemBase ID: 746135
• Molecular Formular: C18H26N6O
• Molecular Mass: 342.43864
• Monoisotopic Mass: 342.21680948
• SMILES: c1(n(ccn1)CCN(C)C)C1CCN(C(=O)c2cnc(cc2)N)CC1
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)c1ccc(nc1)N)C
• InChI: InChI=1S/C18H26N6O/c1-22(2)11-12-23-10-7-20-17(23)14-5-8-24(9-6-14)18(25)15-3-4-16(19)21-13-15/h3-4,7,10,13-14H,5-6,8-9,11-12H2,1-2H3,(H2,19,21)
• InChIKey: KNFGPYGZSKTPLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-{1-[2-(dimethylamino)ethyl]imidazol-2-yl}piperidine-1-carbonyl)pyridin-2-amine
• Synonyms: 5-[(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)carbonyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.3453088
• LogD (pH = 7.4): -1.1984301
• Log P: 0.33571485
• Molar Refractivity: 99.8943 cm^3
• Polarizability: 37.10597 Å^3
• Polar Surface Area: 80.28 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: -0.02
• LOG S: -2.99
• Polar Surface Area: 80.28 Å^2
• Rotatable Bonds: 5