N-benzyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide
Formula:C17H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-pyridin-3-ylmethylideneamino]butanediamide |
| MolecularFormula | C17H18N4O2 |
| Smiles | O=C(CCC(N/N=C\c1cnccc1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C17H18N4O2/c22-16(19-12-14-5-2-1-3-6-14)8-9-17(23)21-20-13-15-7-4-10-18-11-15/h1-7,10-11,13H,8-9,12H2,(H,19,22)(H,21,23) |
| InChIK | DLKFGZYYPXQSSF-UHFFFAOYSA-N |
| TotalMolweight | 310.356 |
| Molweight | 310.356 |
| MonoisotopicMass | 310.142976 |
| CLogP | 1.7612 |
| CLogS | -3.086 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 256.24 |
| Relative PSA | 0.27896 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.9455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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