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3-pyridinecarboxamide, N-[3-[2-[(1-oxopropyl)amino]-4-thiazolyl]phenyl]-

View entire compound with spectra: 2 NMR

3-pyridinecarboxamide, N-[3-[2-[(1-oxopropyl)amino]-4-thiazolyl]phenyl]-
SpectraBase Compound ID 3xbzVb8SJzh
InChI InChI=1S/C18H16N4O2S/c1-2-16(23)22-18-21-15(11-25-18)12-5-3-7-14(9-12)20-17(24)13-6-4-8-19-10-13/h3-11H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKey ZQNNCTQNFOONMK-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C18H16N4O2S
Exact Mass 352.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzpN01NQ24t
Name 3-Pyridinecarboxamide, N-[3-[2-[(1-oxopropyl)amino]-4-thiazolyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.099396943 u
Formula C18H16N4O2S
InChI InChI=1S/C18H16N4O2S/c1-2-16(23)22-18-21-15(11-25-18)12-5-3-7-14(9-12)20-17(24)13-6-4-8-19-10-13/h3-11H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKey ZQNNCTQNFOONMK-UHFFFAOYSA-N
Molecular Weight 352.412 g/mol
SMILES N(C(C=1C=NC=CC1)=O)C=1C=C(C=2N=C(SC2)NC(=O)CC)C=CC1