N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide
Formula:C11H9N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C11H9N3OS |
| Smiles | O=C(c1ccncc1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C11H9N3OS/c15-11(10-1-4-12-5-2-10)14-13-7-9-3-6-16-8-9/h1-8H,(H,14,15) |
| InChIK | URJHXSYJVDRYHK-UHFFFAOYSA-N |
| TotalMolweight | 231.278 |
| Molweight | 231.278 |
| MonoisotopicMass | 231.046632 |
| CLogP | 1.9851 |
| CLogS | -2.826 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 181.69 |
| Relative PSA | 0.37063 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.9176 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off