1-[2-(methylamino)pyridine-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 483956
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: C(=O)(N1CCC(C(=O)NCc2ncccc2)CC1)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC(CC1)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H23N5O2/c1-20-17-12-15(5-9-22-17)19(26)24-10-6-14(7-11-24)18(25)23-13-16-4-2-3-8-21-16/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,20,22)(H,23,25)
• InChIKey: PPFSPWFKJIWJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(methylamino)pyridine-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[2-(methylamino)pyridine-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-[2-(methylamino)isonicotinoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7898655
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.09168475
• LogD (pH = 7.4): 0.19743167
• Log P: 0.19891815
• Molar Refractivity: 100.3145 cm^3
• Polarizability: 37.322342 Å^3
• Polar Surface Area: 87.22 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: -0.61
• LOG S: -1.27
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5