3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine
CNP0240529.1 · C11H14N2 · View on COCONUT ↗
Identifiers
| Name | 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine |
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| IUPAC Name | 3-[(2~{S})-1-methyl-3,6-dihydro-2~{H}-pyridin-2-yl]pyridine |
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| COCONUT ID | CNP0240529.1 |
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| CAS | 5953-51-5 |
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| InChIKey | ATWWUVUOWMJMTM-NSHDSACASA-N |
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| InChI | InChI=1S/C11H14N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h2-5,7,9,11H,6,8H2,1H3/t11-/m0/s1 |
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| SMILES | CN1CC=CC[C@H]1C1=CC=CN=C1 |
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Properties
| Molecular Formula | C11H14N2 |
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| Molecular Weight | 174.25 |
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| Exact Mass | 174.11570 |
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| Log P (ALogP) | 2.01 |
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| TPSA | 16.13 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.61 |
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| NP-likeness | -0.29 |
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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 | Methylpyridines |
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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.
