N-(2-{[1-(pyridin-2-yl)piperidin-3-yl]formamido}ethyl)pyridine-3-carboxamide

• ChemBase ID: 324786
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: N1(CC(C(=O)NCCNC(=O)c2cnccc2)CCC1)c1ncccc1
• Canonical SMILES: O=C(C1CCCN(C1)c1ccccn1)NCCNC(=O)c1cccnc1
• InChI: InChI=1S/C19H23N5O2/c25-18(15-5-3-8-20-13-15)22-10-11-23-19(26)16-6-4-12-24(14-16)17-7-1-2-9-21-17/h1-3,5,7-9,13,16H,4,6,10-12,14H2,(H,22,25)(H,23,26)
• InChIKey: MGTDJHFRIIDAPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[1-(pyridin-2-yl)piperidin-3-yl]formamido}ethyl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-{[1-(pyridin-2-yl)piperidin-3-yl]formamido}ethyl)pyridine-3-carboxamide
• Synonyms: N-(2-{[(1-pyridin-2-ylpiperidin-3-yl)carbonyl]amino}ethyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.808674
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.12263202
• LogD (pH = 7.4): 0.7184427
• Log P: 0.7621911
• Molar Refractivity: 99.4972 cm^3
• Polarizability: 37.325703 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.19
• LOG S: -3.25
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 6