3,3,8-trimethyl-6-(piperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carboxamide

• ChemBase ID: 186678
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: c1(c(c2c(c(n1)C)COC(C2)(C)C)C(=O)N)N1CCCCC1
• Canonical SMILES: NC(=O)c1c(nc(c2c1CC(C)(C)OC2)C)N1CCCCC1
• InChI: InChI=1S/C17H25N3O2/c1-11-13-10-22-17(2,3)9-12(13)14(15(18)21)16(19-11)20-7-5-4-6-8-20/h4-10H2,1-3H3,(H2,18,21)
• InChIKey: JYZQJBQJTCGQEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,8-trimethyl-6-(piperidin-1-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carboxamide
• IUPAC Traditional name: 3,3,8-trimethyl-6-(piperidin-1-yl)-1H,4H-pyrano[3,4-c]pyridine-5-carboxamide

Database IDs

• PubChem SID: 164242588
• PubChem CID: 933113

CALCULATED PROPERTIES

• Acid pKa: 14.122088
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1630971
• LogD (pH = 7.4): 1.8781346
• Log P: 1.9032683
• Molar Refractivity: 88.3888 cm^3
• Polarizability: 32.741947 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds