2-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C19H23N5O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C19H23N5O |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C19H23N5O/c25-19(22-21-14-18-8-4-5-9-20-18)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,22,25) |
| InChIK | NDAWECOIKHWATP-UHFFFAOYSA-N |
| TotalMolweight | 337.426 |
| Molweight | 337.426 |
| MonoisotopicMass | 337.19026 |
| CLogP | 1.6009 |
| CLogS | -1.795 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.41 |
| Relative PSA | 0.19636 |
| PolarSurfaceArea | 60.83 |
| Druglikeness | 9.3083 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off