4-(5-{[3-(pyridin-2-yl)propyl]carbamoyl}pyridin-2-yl)morpholine-2-carboxamide

• ChemBase ID: 554400
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: N1(c2ncc(C(=O)NCCCc3ncccc3)cc2)CC(C(=O)N)OCC1
• Canonical SMILES: NC(=O)C1OCCN(C1)c1ccc(cn1)C(=O)NCCCc1ccccn1
• InChI: InChI=1S/C19H23N5O3/c20-18(25)16-13-24(10-11-27-16)17-7-6-14(12-23-17)19(26)22-9-3-5-15-4-1-2-8-21-15/h1-2,4,6-8,12,16H,3,5,9-11,13H2,(H2,20,25)(H,22,26)
• InChIKey: YEUGDBSQJFQEFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{[3-(pyridin-2-yl)propyl]carbamoyl}pyridin-2-yl)morpholine-2-carboxamide
• IUPAC Traditional name: 4-(5-{[3-(pyridin-2-yl)propyl]carbamoyl}pyridin-2-yl)morpholine-2-carboxamide
• Synonyms: 4-(5-{[(3-pyridin-2-ylpropyl)amino]carbonyl}pyridin-2-yl)morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.440037
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.18328266
• LogD (pH = 7.4): 0.30908728
• Log P: 0.3108342
• Molar Refractivity: 100.7328 cm^3
• Polarizability: 38.038784 Å^3
• Polar Surface Area: 110.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.32
• LOG S: -1.63
• Polar Surface Area: 110.44 Å^2
• Rotatable Bonds: 7