N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide

• ChemBase ID: 388334
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: c1(C(=O)N(C2Cc3c(C2)cccc3)C)c(N2CCOCC2)nccc1
• Canonical SMILES: CN(C(=O)c1cccnc1N1CCOCC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H23N3O2/c1-22(17-13-15-5-2-3-6-16(15)14-17)20(24)18-7-4-8-21-19(18)23-9-11-25-12-10-23/h2-8,17H,9-14H2,1H3
• InChIKey: XTFBNKQRTJPPDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-morpholin-4-ylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.519502
• LogD (pH = 7.4): 2.648416
• Log P: 2.6503565
• Molar Refractivity: 98.9369 cm^3
• Polarizability: 36.960285 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.11
• LOG S: -2.61
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3