N-{(3R)-1-[(6-Fluoro-2-Naphthyl)Methyl]-3-Pyrrolidinyl}-2-{1-[(3-Hydroxy-5-Methyl-2-Pyridinyl)Carbonyl]-4-Piperidinylidene}Acetamide

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Properties Simple | Detailed

Formula C29H31FN4O3
IUPAC Name n-[(1s,3r)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methyl-pyridine-2-carbonyl)-4-piperidylidene]acetamide
Molecular Mass 502.580 g·mol−1
Heat of Formation -449.1 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 614.63 Å 3
Surface Area 446.47 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r)-1-[(6-fluoro-2-naphthyl)methyl]-3-pyrrolidinyl]-2-[1-[(3-hydroxy-5-methyl-2-pyridyl)-oxomethyl]-4-piperidinylidene]acetamide
  • n-[(3r)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methyl-pyridine-2-carbonyl)-4-piperidylidene]acetamide
  • n-[(3r)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methyl-pyridin-2-yl)carbonylpiperidin-4-ylidene]ethanamide
  • n-[(3r)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methylpyridine-2-carbonyl)piperidin-4-ylidene]acetamide
InChIKey LHTPHICFHRATTG-RUZDIDTESA-N
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