N-[2-(1-methylpiperidin-2-yl)ethyl]-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide

• ChemBase ID: 756809
• Molecular Formular: C20H33N5O
• Molecular Mass: 359.50892
• Monoisotopic Mass: 359.2685107
• SMILES: c1(C(=O)NCCC2N(C)CCCC2)cnc(NC2CCN(CC2)C)cc1
• Canonical SMILES: CN1CCC(CC1)Nc1ccc(cn1)C(=O)NCCC1CCCCN1C
• InChI: InChI=1S/C20H33N5O/c1-24-13-9-17(10-14-24)23-19-7-6-16(15-22-19)20(26)21-11-8-18-5-3-4-12-25(18)2/h6-7,15,17-18H,3-5,8-14H2,1-2H3,(H,21,26)(H,22,23)
• InChIKey: SNTKAFWIJIMSED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methylpiperidin-2-yl)ethyl]-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(1-methylpiperidin-2-yl)ethyl]-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
• Synonyms: 6-[(1-methyl-4-piperidinyl)amino]-N-[2-(1-methyl-2-piperidinyl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.636001
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.395523
• LogD (pH = 7.4): -2.1128137
• Log P: 0.912669
• Molar Refractivity: 108.5313 cm^3
• Polarizability: 40.779694 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.35
• LOG S: -3.03
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 6