dimethyl(3-{2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 407248
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(C(=O)c2cnc(cc2)C)CC1
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)C(=O)c1ccc(nc1)C)C
• InChI: InChI=1S/C20H29N5O/c1-16-5-6-18(15-22-16)20(26)25-12-7-17(8-13-25)19-21-9-14-24(19)11-4-10-23(2)3/h5-6,9,14-15,17H,4,7-8,10-13H2,1-3H3
• InChIKey: AXUNURYKUWHXLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-(2-{1-[(6-methyl-3-pyridinyl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3641803
• LogD (pH = 7.4): -1.5104505
• Log P: 0.7615132
• Molar Refractivity: 104.3373 cm^3
• Polarizability: 39.56731 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: 0.24
• LOG S: -3.31
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6