N,N-dimethyl-3-{1-[2-(pyridin-2-yl)pyrimidine-5-carbonyl]piperidin-3-yl}propanamide

• ChemBase ID: 650720
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: N1(C(=O)c2cnc(nc2)c2ncccc2)CC(CCC(=O)N(C)C)CCC1
• Canonical SMILES: O=C(N(C)C)CCC1CCCN(C1)C(=O)c1cnc(nc1)c1ccccn1
• InChI: InChI=1S/C20H25N5O2/c1-24(2)18(26)9-8-15-6-5-11-25(14-15)20(27)16-12-22-19(23-13-16)17-7-3-4-10-21-17/h3-4,7,10,12-13,15H,5-6,8-9,11,14H2,1-2H3
• InChIKey: UGDRNDLBQCBBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{1-[2-(pyridin-2-yl)pyrimidine-5-carbonyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N,N-dimethyl-3-{1-[2-(pyridin-2-yl)pyrimidine-5-carbonyl]piperidin-3-yl}propanamide
• Synonyms: N,N-dimethyl-3-(1-{[2-(2-pyridinyl)-5-pyrimidinyl]carbonyl}-3-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2221967
• LogD (pH = 7.4): 1.222234
• Log P: 1.2222345
• Molar Refractivity: 113.5729 cm^3
• Polarizability: 39.66343 Å^3
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.38
• LOG S: -2.87
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 5