N,N-dimethyl-2-[3-(pyridin-2-yl)propyl]pyrrolidine-2-carboxamide dihydrochloride

• ChemBase ID: 62944
• Molecular Formular: C15H25Cl2N3O
• Molecular Mass: 334.2845
• Monoisotopic Mass: 333.1374678
• SMILES: C(=O)(C1(NCCC1)CCCc1ncccc1)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)C1(CCCc2ccccn2)CCCN1)C.Cl.Cl
• InChI: InChI=1S/C15H23N3O.2ClH/c1-18(2)14(19)15(10-6-12-17-15)9-5-8-13-7-3-4-11-16-13;;/h3-4,7,11,17H,5-6,8-10,12H2,1-2H3;2*1H
• InChIKey: PDAUPMAGTNDWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[3-(pyridin-2-yl)propyl]pyrrolidine-2-carboxamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-[3-(pyridin-2-yl)propyl]pyrrolidine-2-carboxamide dihydrochloride
• Synonyms: 2-(3-Pyridin-2-yl-propyl)-pyrrolidine-2-carboxylic acid dimethylamide dihydrochloride

Database IDs

• MDL Number: MFCD21606194
• PubChem SID: 162028683
• PubChem CID: 71298916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3779862
• LogD (pH = 7.4): -1.4200864
• Log P: 1.1777412
• Molar Refractivity: 75.6335 cm^3
• Polarizability: 29.77481 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false