2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C19H25N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C19H25N5O |
| Smiles | O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H23N5O/c25-19(22-21-14-18-7-4-8-20-13-18)16-24-11-9-23(10-12-24)15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H,22,25)/p+2 |
| InChIK | VLFVPLQEFQAYSK-UHFFFAOYSA-P |
| TotalMolweight | 339.442 |
| Molweight | 339.442 |
| MonoisotopicMass | 339.20591 |
| CLogP | -2.6725 |
| CLogS | -1.771 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 303.49 |
| Relative PSA | 0.27072 |
| PolarSurfaceArea | 63.23 |
| Druglikeness | 4.067 |
| Mutagenic | none |
| 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 |
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1 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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