3,5-bis[(2S)-1-methylpyrrolidin-2-yl]pyridine
CNP0192301.1 · C15H23N3 · View on COCONUT ↗
Identifiers
| Name | 3,5-bis[(2S)-1-methylpyrrolidin-2-yl]pyridine |
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| IUPAC Name | 3,5-bis[(2~{S})-1-methylpyrrolidin-2-yl]pyridine |
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| COCONUT ID | CNP0192301.1 |
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| InChIKey | CFMWWRWPGBAHFT-GJZGRUSLSA-N |
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| InChI | InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1 |
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| SMILES | CN1CCC[C@H]1C1=CN=CC([C@@H]2CCCN2C)=C1 |
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Properties
| Molecular Formula | C15H23N3 |
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| Molecular Weight | 245.37 |
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| Exact Mass | 245.18920 |
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| Log P (ALogP) | 2.62 |
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| TPSA | 19.37 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.80 |
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| NP-likeness | -0.05 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | Pyridine alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Pyridines and derivatives |
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| Chemical Subclass | Pyrrolidinylpyridines |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
