(1R,5S)-9-oxo-N,N-dipyridin-2-ylbicyclo[3.3.1]nonane-3-carboxamide
Formula:C20H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,5S)-9-oxo-N,N-dipyridin-2-ylbicyclo[3.3.1]nonane-3-carboxamide is a drug-like molecule.
| MolName | (1R,5S)-9-oxo-N,N-dipyridin-2-ylbicyclo[3.3.1]nonane-3-carboxamide |
| MolecularFormula | C20H21N3O2 |
| Smiles | O=C(C(C[C@H]1CCC2)C[C@H]2C1=O)N(c1ncccc1)c1ncccc1 |
| InChI | InChI=1S/C20H21N3O2/c24-19-14-6-5-7-15(19)13-16(12-14)20(25)23(17-8-1-3-10-21-17)18-9-2-4-11-22-18/h1-4,8-11,14-16H,5-7,12-13H2/t14-,15+,16? |
| InChIK | WDFWGNPEIOQACB-XYPWUTKMSA-N |
| TotalMolweight | 335.406 |
| Molweight | 335.406 |
| MonoisotopicMass | 335.163377 |
| CLogP | 2.1958 |
| CLogS | -5.068 |
| H Acceptors | 5 |
| TotalSurfaceArea | 255.64 |
| Relative PSA | 0.20173 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 0.11521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
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1 - (1R,5S)-9-oxo-N,N-dipyridin-2-ylbicyclo[3.3.1]nonane-3-carboxamide | 2 - (1R,5S)-9-oxo-N,N-dipyridin-2-ylbicyclo[3.3.1]nonane-3-carboxamide
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