N,N-dimethyl-5-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 589601
• Molecular Formular: C17H21N5O2
• Molecular Mass: 327.38094
• Monoisotopic Mass: 327.16952494
• SMILES: C(=O)(N1CCC(Oc2ncccn2)CC1)c1cnc(N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N(C)C)N1CCC(CC1)Oc1ncccn1
• InChI: InChI=1S/C17H21N5O2/c1-21(2)15-5-4-13(12-20-15)16(23)22-10-6-14(7-11-22)24-17-18-8-3-9-19-17/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
• InChIKey: QSHNWHZJDMKKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N,N-dimethyl-5-{[4-(pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0629736
• LogD (pH = 7.4): 1.1621193
• Log P: 1.1635541
• Molar Refractivity: 92.1095 cm^3
• Polarizability: 34.078175 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.75
• LOG S: -2.23
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 4