N-(2-methoxyethyl)-5-[4-(1H-pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 663424
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: C(=O)(N1CCC(Cn2nccc2)CC1)c1cnc(NCCOC)cc1
• Canonical SMILES: COCCNc1ccc(cn1)C(=O)N1CCC(CC1)Cn1cccn1
• InChI: InChI=1S/C18H25N5O2/c1-25-12-8-19-17-4-3-16(13-20-17)18(24)22-10-5-15(6-11-22)14-23-9-2-7-21-23/h2-4,7,9,13,15H,5-6,8,10-12,14H2,1H3,(H,19,20)
• InChIKey: ZTNAJYVREXENBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-[4-(1H-pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-(2-methoxyethyl)-5-{[4-(1H-pyrazol-1-ylmethyl)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.293928
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.64906096
• LogD (pH = 7.4): 0.7703622
• Log P: 0.77216923
• Molar Refractivity: 109.5661 cm^3
• Polarizability: 36.281303 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.67
• LOG S: -4.04
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6