4-anilino-N-[(Z)-pyridin-3-ylmethylideneamino]butanamide
Formula:C16H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-anilino-N-[(Z)-pyridin-3-ylmethylideneamino]butanamide is a drug-like molecule.
| MolName | 4-anilino-N-[(Z)-pyridin-3-ylmethylideneamino]butanamide |
| MolecularFormula | C16H18N4O |
| Smiles | O=C(CCCNc1ccccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H18N4O/c21-16(20-19-13-14-6-4-10-17-12-14)9-5-11-18-15-7-2-1-3-8-15/h1-4,6-8,10,12-13,18H,5,9,11H2,(H,20,21) |
| InChIK | GWSZINVYVVUVMG-UHFFFAOYSA-N |
| TotalMolweight | 282.346 |
| Molweight | 282.346 |
| MonoisotopicMass | 282.148061 |
| CLogP | 2.4014 |
| CLogS | -3.288 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.49 |
| Relative PSA | 0.24504 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 4.098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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