Basic information
- Standard SMILES
CN(c1ccc(C#N)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1- InChIKey
ZZWSVWLKMJYUAE-CYBMUJFWSA-N- Molecular formula
- C17H17N7
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- (R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinonitrile
- IUPAC
- 6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL673480CHEMBL3896481ZZWSVWLKMJYUAE-CYBMUJFWSA-NBDBM228719US9346810, 71US9346810, 92(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino) nicotinonitrile(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinonitrile
Database identifiers
- PubChem CID
- 66765754
- ChEMBL
CHEMBL3896481
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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