6-(hydroxymethyl)-N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide
Formula:C18H15N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-(hydroxymethyl)-N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 6-(hydroxymethyl)-N-[(E)-naphthalen-1-ylmethylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H15N3O2 |
| Smiles | OCc(cc1)ncc1C(N/N=C/c1cccc2ccccc12)=O |
| InChI | InChI=1S/C18H15N3O2/c22-12-16-9-8-15(10-19-16)18(23)21-20-11-14-6-3-5-13-4-1-2-7-17(13)14/h1-11,22H,12H2,(H,21,23) |
| InChIK | ISYUCWVZQXQSKR-UHFFFAOYSA-N |
| TotalMolweight | 305.336 |
| Molweight | 305.336 |
| MonoisotopicMass | 305.116427 |
| CLogP | 2.8518 |
| CLogS | -4.44 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.46 |
| Relative PSA | 0.24985 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.2796 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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