N,N-dimethyl-3-(piperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide dihydrochloride

• ChemBase ID: 62748
• Molecular Formular: C15H21Cl2N3OS
• Molecular Mass: 362.31774
• Monoisotopic Mass: 361.07823867
• SMILES: c1(sc2c(c1C1CCNCC1)cccn2)C(=O)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)c1sc2c(c1C1CCNCC1)cccn2)C.Cl.Cl
• InChI: InChI=1S/C15H19N3OS.2ClH/c1-18(2)15(19)13-12(10-5-8-16-9-6-10)11-4-3-7-17-14(11)20-13;;/h3-4,7,10,16H,5-6,8-9H2,1-2H3;2*1H
• InChIKey: GAGJNDMEFOUEAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(piperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-(piperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide dihydrochloride
• Synonyms: 3-Piperidin-4-yl-thieno[2,3-b]pyridine-2-carboxylic acid dimethylamide dihydrochloride

Database IDs

• MDL Number: MFCD21606060
• PubChem SID: 162028487
• PubChem CID: 71298798

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.679183
• LogD (pH = 7.4): -0.9057398
• Log P: 1.534557
• Molar Refractivity: 81.2707 cm^3
• Polarizability: 31.38981 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false