Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(-c2csc(N)n2)cc1- InChIKey
IYHRWNVGGMWOQE-UHFFFAOYSA-N- Molecular formula
- C26H25N5OS
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.17798161
Names & identifiers
- Preferred name
- N-[4'-(2-Amino-4-thiazolyl)-6-methyl-[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
- IUPAC
- N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
Names & synonyms
CHEMBL526452SCHEMBL5117580IYHRWNVGGMWOQE-UHFFFAOYSA-NBDBM50264958N-(4''-(2-aminothiazol-4-yl)-6-methylbiphenyl-3-yl)-2-(pyrrolidin-1-yl)isonicotinamideN-[4'-(2-Amino-4-thiazolyl)-6-methyl-[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
Database identifiers
- PubChem CID
- 10072721
- ChEMBL
CHEMBL526452
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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