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3-(4-bromobenzoyl)-2-(2-pyridylamino)-N-(2-pyridyl)propionamide
SpectraBase Compound ID AIT1PIVdupX
InChI InChI=1S/C20H17BrN4O2/c21-15-9-7-14(8-10-15)17(26)13-16(24-18-5-1-3-11-22-18)20(27)25-19-6-2-4-12-23-19/h1-12,16H,13H2,(H,22,24)(H,23,25,27)
InChIKey XRHXOEWYGQMTQF-UHFFFAOYSA-N
Mol Weight 425.29 g/mol
Molecular Formula C20H17BrN4O2
Exact Mass 424.053489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71LDmFlONC1
Name 3-(4-bromobenzoyl)-2-(2-pyridylamino)-N-(2-pyridyl)propionamide
Alternate Name(s) 4-(4-bromophenyl)-4-oxo-N-(pyridin-2-yl)-2-(pyridin-2-ylamino)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN4O2
InChI InChI=1S/C20H17BrN4O2/c21-15-9-7-14(8-10-15)17(26)13-16(24-18-5-1-3-11-22-18)20(27)25-19-6-2-4-12-23-19/h1-12,16H,13H2,(H,22,24)(H,23,25,27)
InChIKey XRHXOEWYGQMTQF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800185
Molecular Weight 425.286 g/mol
SMILES N(C(C(CC(c1ccc(cc1)Br)=O)Nc1ccccn1)=O)c1ccccn1
SPLASH splash10-0f9x-9400000000-6d1c4ae1a1e40982926b
Source of Spectrum QA-55-1249-8b
Wiley ID 1796514