2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

• ChemBase ID: 457276
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: C(=O)(N(C1CCN(CC1)C)CCCOC)c1cc(ncc1)N
• Canonical SMILES: COCCCN(C(=O)c1ccnc(c1)N)C1CCN(CC1)C
• InChI: InChI=1S/C16H26N4O2/c1-19-9-5-14(6-10-19)20(8-3-11-22-2)16(21)13-4-7-18-15(17)12-13/h4,7,12,14H,3,5-6,8-11H2,1-2H3,(H2,17,18)
• InChIKey: KWIVCPDZAFCYHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
• IUPAC Traditional name: 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
• Synonyms: 2-amino-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0720382
• LogD (pH = 7.4): -1.1995478
• Log P: -0.14111225
• Molar Refractivity: 89.1468 cm^3
• Polarizability: 33.314667 Å^3
• Polar Surface Area: 71.69 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: 0.19
• LOG S: -2.91
• Polar Surface Area: 71.69 Å^2
• Rotatable Bonds: 6