3-({[6-(Acetylamino)-3-pyridinyl]amino}carbonyl)-2-pyrazinecarboxylic acid
5199
Reference
3-({[6-(Acetylamino)-3-pyridinyl]amino}carbonyl)-2-pyrazinecarboxylic acid Structure
Systematic / IUPAC Name: 3-[(6-Acetamido-3-pyridinyl)carbamoyl]-2-pyrazinecarboxylic acid
ID: Reference5199
Other Names: 2-Pyrazinecarboxylic acid, 3-({[6-(acetylamino)-3-pyridinyl]amino}carbonyl)-
Formula: C13H11N5O4
Spectral Data
3-({[6-(Acetylamino)-3-pyridinyl]amino}carbonyl)-2-pyrazinecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 212 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 7/20/2016 6:00:02 AM |
Identificators
| InChI | InChI=1S/C13H11N5O4/c1-7(19)17-9-3-2-8(6-16-9)18-12(20)10-11(13(21)22)15-5-4-14-10/h2-6H,1H3,(H,18,20)(H,21,22)(H,16,17,19) |
| InChI Key | MGKGSUSAYJINQR-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)NC1=NC=C(C=C1)NC(=O)C2=NC=CN=C2C(=O)O |
| CAS | |
| Splash | |
| Other Names | 2-Pyrazinecarboxylic acid, 3-({[6-(acetylamino)-3-pyridinyl]amino}carbonyl)- |
In Other Databases
| ChEMBL | CHEMBL1364652 |
| PubChem | 2813206 |
| ChemSpider | 2091609 |