3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
Formula:C19H24N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide |
| MolecularFormula | C19H24N5O |
| Smiles | O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H23N5O/c25-19(22-21-16-17-6-9-20-10-7-17)8-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-7,9-10,16H,8,11-15H2,(H,22,25)/p+1 |
| InChIK | AZANHDBNKYMICS-UHFFFAOYSA-O |
| TotalMolweight | 338.434 |
| Molweight | 338.434 |
| MonoisotopicMass | 338.198085 |
| CLogP | -0.0313 |
| CLogS | -2.563 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.45 |
| Relative PSA | 0.23534 |
| PolarSurfaceArea | 62.03 |
| Druglikeness | 5.8039 |
| 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 | 7 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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