3-hydroxy-N-[3-(pyridin-3-yl)propyl]pyridine-2-carboxamide

• ChemBase ID: 670730
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: c1(C(=O)NCCCc2cnccc2)ncccc1O
• Canonical SMILES: O=C(c1ncccc1O)NCCCc1cccnc1
• InChI: InChI=1S/C14H15N3O2/c18-12-6-3-8-16-13(12)14(19)17-9-2-5-11-4-1-7-15-10-11/h1,3-4,6-8,10,18H,2,5,9H2,(H,17,19)
• InChIKey: UJJBVEUIXZLXTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-[3-(pyridin-3-yl)propyl]pyridine-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-[3-(pyridin-3-yl)propyl]pyridine-2-carboxamide
• Synonyms: 3-hydroxy-N-(3-pyridin-3-ylpropyl)pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.704608
• LogD (pH = 7.4): 1.5712677
• Log P: 1.8022053
• Acid pKa: 7.5453224
• Molar Refractivity: 71.2968 cm^3
• Polarizability: 27.101542 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.9
• LOG S: -1.4
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 5