3-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
Formula:C20H25N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-benzylpiperazin-1-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide |
| MolecularFormula | C20H25N5O |
| Smiles | O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H25N5O/c26-20(23-22-16-19-7-4-9-21-15-19)8-10-24-11-13-25(14-12-24)17-18-5-2-1-3-6-18/h1-7,9,15-16H,8,10-14,17H2,(H,23,26) |
| InChIK | QJQKZNTYQHRJEG-UHFFFAOYSA-N |
| TotalMolweight | 351.453 |
| Molweight | 351.453 |
| MonoisotopicMass | 351.20591 |
| CLogP | 2.0013 |
| CLogS | -2.041 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.17 |
| Relative PSA | 0.18702 |
| PolarSurfaceArea | 60.83 |
| Druglikeness | 10.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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