4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N-methylpyridin-2-amine

• ChemBase ID: 346663
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c1(C2CN(C(=O)c3cc(ncc3)NC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1ccnc(c1)NC
• InChI: InChI=1S/C18H25N5O2/c1-19-16-12-14(5-6-20-16)18(24)23-8-3-4-15(13-23)17-21-7-9-22(17)10-11-25-2/h5-7,9,12,15H,3-4,8,10-11,13H2,1-2H3,(H,19,20)
• InChIKey: VRSXKHBTTKIXSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}-N-methylpyridin-2-amine
• Synonyms: 4-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.019926481
• LogD (pH = 7.4): 0.698634
• Log P: 0.7277064
• Molar Refractivity: 98.2581 cm^3
• Polarizability: 36.285713 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.07
• LOG S: -3.07
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6