Basic information
- Standard SMILES
COC(=O)C1(CCNc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)nc2C)CCCCC1- InChIKey
VBBYGRPYEXCYDO-PZJWPPBQSA-N- Molecular formula
- C25H40N4O2
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.31512653
Names & identifiers
- Preferred name
- 1-{2-[2-methyl-6-((2S,3'R)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-ylamino]-ethyl}-cyclohexanecarboxylic acid methyl ester
- IUPAC
- methyl 1-[2-[[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]amino]ethyl]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL14739190VBBYGRPYEXCYDO-PZJWPPBQSA-N1-{2-[2-methyl-6-((2S,3'R)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-ylamino]-ethyl}-cyclohexanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71280873
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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