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ethanediamide, N~1~-(4-pyridinylmethyl)-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]-

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ethanediamide, N~1~-(4-pyridinylmethyl)-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]-
SpectraBase Compound ID 7HH1sJkafI0
InChI InChI=1S/C21H19N5O3/c27-19(24-14-16-4-3-9-23-12-16)17-5-1-2-6-18(17)26-21(29)20(28)25-13-15-7-10-22-11-8-15/h1-12H,13-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKey TUXIAUFRDDBLHG-UHFFFAOYSA-N
Mol Weight 389.42 g/mol
Molecular Formula C21H19N5O3
Exact Mass 389.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KG88Viit1Aa
Name Ethanediamide, N~1~-(4-pyridinylmethyl)-N~2~-[2-[[(3-pyridinylmethyl)amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.148789489 u
Formula C21H19N5O3
InChI InChI=1S/C21H19N5O3/c27-19(24-14-16-4-3-9-23-12-16)17-5-1-2-6-18(17)26-21(29)20(28)25-13-15-7-10-22-11-8-15/h1-12H,13-14H2,(H,24,27)(H,25,28)(H,26,29)
InChIKey TUXIAUFRDDBLHG-UHFFFAOYSA-N
SMILES N(C(C1=C(NC(C(NCC2=CC=NC=C2)=O)=O)C=CC=C1)=O)CC=1C=NC=CC1