![1,3-Bis[[[6-(1-propionylamino)pyrid-2-yl]amino]carbonyl]-5-(heptyl-oxy)benzene](/api/spectrum/L7QNLNs41vu/structure.png?h=300&w=458 "1,3-Bis[[[6-(1-propionylamino)pyrid-2-yl]amino]carbonyl]-5-(heptyl-oxy)benzene")
| SpectraBase Compound ID | CKlTQjS7OqZ |
|---|---|
| InChI | InChI=1S/C31H38N6O5/c1-4-7-8-9-10-17-42-23-19-21(30(40)36-26-15-11-13-24(32-26)34-28(38)5-2)18-22(20-23)31(41)37-27-16-12-14-25(33-27)35-29(39)6-3/h11-16,18-20H,4-10,17H2,1-3H3,(H2,32,34,36,38,40)(H2,33,35,37,39,41) |
| InChIKey | PCUIXPKHFPOHDN-UHFFFAOYSA-N |
| Mol Weight | 574.7 g/mol |
| Molecular Formula | C31H38N6O5 |
| Exact Mass | 574.290368 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L7QNLNs41vu |
|---|---|
| Name | 1,3-Bis[[[6-(1-propionylamino)pyrid-2-yl]amino]carbonyl]-5-(heptyl-oxy)benzene |
| CAS Registry Number | 129648-66-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38N6O5 |
| InChI | InChI=1S/C31H38N6O5/c1-4-7-8-9-10-17-42-23-19-21(30(40)36-26-15-11-13-24(32-26)34-28(38)5-2)18-22(20-23)31(41)37-27-16-12-14-25(33-27)35-29(39)6-3/h11-16,18-20H,4-10,17H2,1-3H3,(H2,32,34,36,38,40)(H2,33,35,37,39,41) |
| InChIKey | PCUIXPKHFPOHDN-UHFFFAOYSA-N |
| Molecular Weight | 574.682 g/mol |
| SMILES | N(C(c1cc(C(Nc2nc(ccc2)NC(=O)CC)=O)cc(c1)OCCCCCCC)=O)c1nc(ccc1)NC(=O)CC |
| SPLASH | splash10-0a4i-2900000000-3ca4628569ca29d5758b |
| Source of Spectrum | C-112-9589-4 |
| Synonyms | 5-(heptyloxy)-N(1),N(3)-bis[6-(propionylamino)-2-pyridinyl]isophthalamide |
| Wiley ID | 1408038 |