N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 793657
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: C(=O)(N1CCC(C(=O)N2CCCC2)CC1)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC(CC1)C(=O)N1CCCC1
• InChI: InChI=1S/C17H24N4O2/c1-18-15-12-14(4-7-19-15)17(23)21-10-5-13(6-11-21)16(22)20-8-2-3-9-20/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,18,19)
• InChIKey: BSYQSCHCIAEENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-methyl-4-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15086775
• LogD (pH = 7.4): 0.23886406
• Log P: 0.2401191
• Molar Refractivity: 90.8187 cm^3
• Polarizability: 33.430557 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.31
• LOG S: -3.08
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3