6-amino-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

• ChemBase ID: 707613
• Molecular Formular: C16H23N5O3
• Molecular Mass: 333.38552
• Monoisotopic Mass: 333.18008962
• SMILES: C(=O)(N1CCC(NC(=O)c2cnc(cc2)N)CC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)NC(=O)c1ccc(nc1)N
• InChI: InChI=1S/C16H23N5O3/c17-14-2-1-12(11-18-14)15(22)19-13-3-5-20(6-4-13)16(23)21-7-9-24-10-8-21/h1-2,11,13H,3-10H2,(H2,17,18)(H,19,22)
• InChIKey: KEJWLBKBDCFQHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-amino-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
• Synonyms: 6-amino-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.765825
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.4441787
• LogD (pH = 7.4): -1.2585894
• Log P: -1.2555721
• Molar Refractivity: 90.157 cm^3
• Polarizability: 33.47477 Å^3
• Polar Surface Area: 100.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.21
• LOG S: -3.12
• Polar Surface Area: 100.79 Å^2
• Rotatable Bonds: 2