Basic information
- CAS
253304-60-8- Standard SMILES
COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccccn1)N(C)C2c1ccccn1- InChIKey
NXOACBKUEYYEQP-UHFFFAOYSA-N- Molecular formula
- C23H26N4O5
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.19031994
Names & identifiers
- Preferred name
- Dimethyl 3,7-dimethyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
- IUPAC
- dimethyl 3,7-dimethyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
Names & synonyms
253304-60-8HZ2NSC613190dimethyl 3,7-dimethyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylateCHEMBL177284HZ-2SCHEMBL1131484SCHEMBL29366723DTXSID90326741BDBM50092516NSC-613190PD159812
Show more names
Q56362823-{[(Methoxycarbonyl-pyridin-2-yl-methyl)-methyl-amino]-pyridin-2-yl-methyl}-1-methyl-4-oxo-piperidine-3-carboxylic acid methyl esterdimethyl 3,7-dimethyl-9-oxo-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylateDimethyl 3,7-dimethyl-9-oxo-2,4-di(2-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylateDimethyl 3,7-dimethyl-9-oxo-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
Database identifiers
- CAS
253304-60-8- PubChem CID
- 356604
- DTXSID
DTXSID90326741- ChEMBL
CHEMBL177284- Nikkaji
- J769.881J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 705
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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