N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide
Formula:C14H15N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C14H15N3O |
| Smiles | O=C(c1ccncc1)N/N=C\C(C1)C2C=CC1C2 |
| InChI | InChI=1S/C14H15N3O/c18-14(11-3-5-15-6-4-11)17-16-9-13-8-10-1-2-12(13)7-10/h1-6,9-10,12-13H,7-8H2,(H,17,18) |
| InChIK | VUCKSEXZWPSNKP-UHFFFAOYSA-N |
| TotalMolweight | 241.293 |
| Molweight | 241.293 |
| MonoisotopicMass | 241.121512 |
| CLogP | 1.4181 |
| CLogS | -2.912 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 190.51 |
| Relative PSA | 0.2466 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.7682 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide
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