N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide
Formula:C21H23N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide |
| MolecularFormula | C21H23N5O |
| Smiles | O=C(c1ccncc1)N/N=C(/C(C1)CN(C2)CCN1C1)\C12c1ccccc1 |
| InChI | InChI=1S/C21H23N5O/c27-20(16-6-8-22-9-7-16)24-23-19-17-12-25-10-11-26(13-17)15-21(19,14-25)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,24,27) |
| InChIK | KNOZSASMEMHOSY-UHFFFAOYSA-N |
| TotalMolweight | 361.448 |
| Molweight | 361.448 |
| MonoisotopicMass | 361.19026 |
| CLogP | 1.6959 |
| CLogS | -2.198 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.53 |
| Relative PSA | 0.20065 |
| PolarSurfaceArea | 60.83 |
| Druglikeness | 6.2204 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide | 2 - N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide
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