N-methyl-N-(oxan-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase ID: 49094
• Molecular Formular: C14H23ClN4O2
• Molecular Mass: 314.81102
• Monoisotopic Mass: 314.15095368
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(CC1CCOCC1)C.Cl
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CNCC2)CC1CCOCC1.Cl
• InChI: InChI=1S/C14H22N4O2.ClH/c1-18(9-10-3-6-20-7-4-10)14(19)13-11-8-15-5-2-12(11)16-17-13;/h10,15H,2-9H2,1H3,(H,16,17);1H
• InChIKey: NOCOYZJPQXQDQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-methyl-N-(oxan-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-Methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)-4,5,6, 7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxam

Database IDs

• MDL Number: MFCD13562317
• PubChem SID: 162053857
• PubChem CID: 56832011

CALCULATED PROPERTIES

• Acid pKa: 12.851695
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0320528
• LogD (pH = 7.4): -1.3237253
• Log P: -0.3274036
• Molar Refractivity: 78.0842 cm^3
• Polarizability: 29.10063 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false