Basic information
- Standard SMILES
CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccnc1Nc1ccccc1- InChIKey
RDUSEBZVFHJPLD-HNNXBMFYSA-N- Molecular formula
- C20H26N4O3
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- [(S)-1-(2-Phenylaminopyridin-3-ylcarbamoyl)propyl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-[(2-anilino-3-pyridinyl)amino]-1-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL11901866RDUSEBZVFHJPLD-HNNXBMFYSA-N[(S)-1-(2-Phenylaminopyridin-3-ylcarbamoyl)propyl]carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68157992
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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