methyl 6-{[(3R)-1-benzyl-3-pyrrolidinyl]amino}nicotinate
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Basic information
- Standard SMILES
COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1- InChIKey
SLDWDVAQSGVJQA-MRXNPFEDSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- methyl 6-{[(3R)-1-benzyl-3-pyrrolidinyl]amino}nicotinate
- IUPAC
- methyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL4217960SLDWDVAQSGVJQA-MRXNPFEDSA-Nmethyl 6-{[(3R)-1-benzyl-3-pyrrolidinyl]amino}nicotinate
Database identifiers
- PubChem CID
- 68960481
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
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Related reactions
2 records
Compound notes
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