1-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indole-3-carboxamide

• ChemBase ID: 584639
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: c1(cn(c2c1cccc2)C)C(=O)NC1CN(Cc2ncccc2)CCC1
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)NC1CCCN(C1)Cc1ccccn1
• InChI: InChI=1S/C21H24N4O/c1-24-15-19(18-9-2-3-10-20(18)24)21(26)23-17-8-6-12-25(14-17)13-16-7-4-5-11-22-16/h2-5,7,9-11,15,17H,6,8,12-14H2,1H3,(H,23,26)
• InChIKey: ONNZNRGLWLILOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-indole-3-carboxamide
• IUPAC Traditional name: 1-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]indole-3-carboxamide
• Synonyms: 1-methyl-N-[1-(2-pyridinylmethyl)-3-piperidinyl]-1H-indole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.250039
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1385254
• LogD (pH = 7.4): 2.3481317
• Log P: 2.4424818
• Molar Refractivity: 103.1801 cm^3
• Polarizability: 40.701317 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.82
• LOG S: -4.44
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4