N-(4-Methyl-3-{[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino}Phenyl)Nicotinamide

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Properties Simple | Detailed

Formula C22H18N6O
IUPAC Name n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
Molecular Mass 382.418 g·mol−1
Heat of Formation 361.3 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 445.27 Å 3
Surface Area 408.51 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
  • n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
  • n-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
  • n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]nicotinamide
  • n-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
  • prc
InChIKey YWQVBESSYLICRX-UHFFFAOYSA-N
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