N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-2-carboxamide
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C16H15N3O |
| Smiles | O=C(c1ncccc1)N/N=C\c1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C16H15N3O/c20-16(15-6-1-2-9-17-15)19-18-11-12-7-8-13-4-3-5-14(13)10-12/h1-2,6-11H,3-5H2,(H,19,20) |
| InChIK | JUPBOTGHWZDKSM-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 3.0695 |
| CLogS | -3.772 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.53 |
| Relative PSA | 0.22002 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 1.3923 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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