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3-pyridinecarboxamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-
SpectraBase Compound ID B33R9Fh0k9j
InChI InChI=1S/C19H19N5O2/c25-18(15-5-3-8-20-13-15)23-17-7-2-1-6-16(17)19(26)22-9-4-11-24-12-10-21-14-24/h1-3,5-8,10,12-14H,4,9,11H2,(H,22,26)(H,23,25)
InChIKey HCESGSJWWQSAHZ-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C19H19N5O2
Exact Mass 349.153875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyOy9I1qkNm
Name 3-Pyridinecarboxamide, N-[2-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 349.153874870 u
Formula C19H19N5O2
InChI InChI=1S/C19H19N5O2/c25-18(15-5-3-8-20-13-15)23-17-7-2-1-6-16(17)19(26)22-9-4-11-24-12-10-21-14-24/h1-3,5-8,10,12-14H,4,9,11H2,(H,22,26)(H,23,25)
InChIKey HCESGSJWWQSAHZ-UHFFFAOYSA-N
Molecular Weight 349.394 g/mol
SMILES N(C(C=1C=NC=CC1)=O)C=1C(C(=O)NCCCN2C=NC=C2)=CC=CC1