6-{[2-({2-[(2S)-2-Cyano-1-Pyrrolidinyl]-2-Oxoethyl}Amino)Ethyl]Amino}Nicotinonitrile

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Properties Simple | Detailed

Formula C15H18N6O
IUPAC Name 6-[2-[[2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]ethylamino]pyridine-3-carbonitrile
Molecular Mass 298.343 g·mol−1
Heat of Formation 218.2 ± 16.7 kJ·mol−1
Dipole Moment 11.41 ± 1.08 D
Volume 371.73 Å 3
Surface Area 342.47 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[2-[[2-[(2s)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]ethylamino]-3-pyridinecarbonitrile
  • 6-[2-[[2-[(2s)-2-cyanopyrrolidin-1-yl]-2-keto-ethyl]amino]ethylamino]nicotinonitrile
  • 6-[2-[[2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]ethylamino]pyridine-3-carbonitrile
  • 6-[2-[[2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
InChIKey VFFZWMWTUSXDCB-ZDUSSCGKSA-N
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