N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]pyridine-4-carboxamide
Formula:C13H13N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H13N3O |
| Smiles | O=C(c1ccncc1)N/N=C(\C1)/C2C1C=CC2 |
| InChI | InChI=1S/C13H13N3O/c17-13(9-4-6-14-7-5-9)16-15-12-8-10-2-1-3-11(10)12/h1-2,4-7,10-11H,3,8H2,(H,16,17) |
| InChIK | RZILNFWTGIFZHJ-UHFFFAOYSA-N |
| TotalMolweight | 227.266 |
| Molweight | 227.266 |
| MonoisotopicMass | 227.105862 |
| CLogP | 1.5794 |
| CLogS | -2.696 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 176.22 |
| Relative PSA | 0.2666 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.3365 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]pyridine-4-carboxamide | 2 - N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]pyridine-4-carboxamide
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