N-cyclopropyl-4-[({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)amino]pyridine-2-carboxamide

• ChemBase ID: 345024
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n1(nc(cc1C)C)CC1(CC1)CNc1cc(C(=O)NC2CC2)ncc1
• Canonical SMILES: Cc1nn(c(c1)C)CC1(CC1)CNc1ccnc(c1)C(=O)NC1CC1
• InChI: InChI=1S/C19H25N5O/c1-13-9-14(2)24(23-13)12-19(6-7-19)11-21-16-5-8-20-17(10-16)18(25)22-15-3-4-15/h5,8-10,15H,3-4,6-7,11-12H2,1-2H3,(H,20,21)(H,22,25)
• InChIKey: DVZSKXKOUDQSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-[({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)amino]pyridine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-4-[({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)amino]pyridine-2-carboxamide
• Synonyms: N-cyclopropyl-4-[({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)amino]-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.70535
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1989683
• LogD (pH = 7.4): 1.2813442
• Log P: 1.2825041
• Molar Refractivity: 109.4653 cm^3
• Polarizability: 36.531662 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.28
• LOG S: -3.62
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 7