3-piperidin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
Formula:C14H21N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-piperidin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-piperidin-1-ium-1-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide |
| MolecularFormula | C14H21N4O |
| Smiles | O=C(CC[NH+]1CCCCC1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H20N4O/c19-14(6-10-18-8-2-1-3-9-18)17-16-12-13-5-4-7-15-11-13/h4-5,7,11-12H,1-3,6,8-10H2,(H,17,19)/p+1 |
| InChIK | UZNBUHXOBCPGNA-UHFFFAOYSA-O |
| TotalMolweight | 261.348 |
| Molweight | 261.348 |
| MonoisotopicMass | 261.171536 |
| CLogP | -0.4719 |
| CLogS | -2.105 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 233.15 |
| Relative PSA | 0.27695 |
| PolarSurfaceArea | 58.79 |
| Druglikeness | 1.0959 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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