6-amino-N-(pyridin-4-yl)hexanamide hydrochloride

• ChemBase ID: 121543
• Molecular Formular: C11H18ClN3O
• Molecular Mass: 243.73312
• Monoisotopic Mass: 243.11383989
• SMILES: C(=O)(Nc1ccncc1)CCCCCN.Cl
• Canonical SMILES: NCCCCCC(=O)Nc1ccncc1.Cl
• InChI: InChI=1S/C11H17N3O.ClH/c12-7-3-1-2-4-11(15)14-10-5-8-13-9-6-10;/h5-6,8-9H,1-4,7,12H2,(H,13,14,15);1H
• InChIKey: SRFKMPNQDCPOFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
• IUPAC Traditional name: 6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
• Synonyms: 6-amino-N-(pyridin-4-yl)hexanamide hydrochloride

Database IDs

• PubChem SID: 162215896
• PubChem CID: 16745846

CALCULATED PROPERTIES

• Acid pKa: 13.58929
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8694017
• LogD (pH = 7.4): -2.127305
• Log P: 0.4839652
• Molar Refractivity: 60.7802 cm^3
• Polarizability: 23.199022 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl