Basic information
- Standard SMILES
CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(N)n4)o3)n2)cc1- InChIKey
FQMRKIPGFNRYOO-UHFFFAOYSA-N- Molecular formula
- C20H18N8O2
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-Amino-6-[5-(6-amino-2-pyridyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
- IUPAC
- 4-[5-amino-6-[5-(6-amino-2-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
Names & synonyms
4-[5-amino-6-[5-(6-amino-2-pyridyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamideSCHEMBL2514881CHEMBL5962306FQMRKIPGFNRYOO-UHFFFAOYSA-NBDBM420730US10479784, Compound IA-231
Database identifiers
- PubChem CID
- 59471682
- ChEMBL
CHEMBL5962306
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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