N-[1-(3-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyridin-2-amine

• ChemBase ID: 831382
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(C(=O)N2CCC(Nc3ncccc3)CC2)c(nn(c1)CCC)C
• Canonical SMILES: CCCn1nc(c(c1)C(=O)N1CCC(CC1)Nc1ccccn1)C
• InChI: InChI=1S/C18H25N5O/c1-3-10-23-13-16(14(2)21-23)18(24)22-11-7-15(8-12-22)20-17-6-4-5-9-19-17/h4-6,9,13,15H,3,7-8,10-12H2,1-2H3,(H,19,20)
• InChIKey: UOAVPMUGENANHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methyl-1-propyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• IUPAC Traditional name: N-[1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• Synonyms: N-{1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.38034546
• LogD (pH = 7.4): 1.3067694
• Log P: 1.3692446
• Molar Refractivity: 107.5687 cm^3
• Polarizability: 35.499454 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.45
• LOG S: -2.83
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5