2-(5-piperidin-1-yltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C14H18N8O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-piperidin-1-yltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-piperidin-1-yltetrazol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C14H18N8O |
| Smiles | O=C(Cn1nnc(N2CCCCC2)n1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H18N8O/c23-13(17-16-10-12-5-4-6-15-9-12)11-22-19-14(18-20-22)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,17,23) |
| InChIK | WOCCKSQDGWVSNL-UHFFFAOYSA-N |
| TotalMolweight | 314.352 |
| Molweight | 314.352 |
| MonoisotopicMass | 314.160357 |
| CLogP | 1.0715 |
| CLogS | -2.112 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 250.59 |
| Relative PSA | 0.36039 |
| PolarSurfaceArea | 101.19 |
| Druglikeness | 1.0196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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