N-[(E)-pyridin-4-ylmethylideneamino]pyrazine-2-carboxamide
Formula:C11H9N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-4-ylmethylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-4-ylmethylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C11H9N5O |
| Smiles | O=C(c1nccnc1)N/N=C/c1ccncc1 |
| InChI | InChI=1S/C11H9N5O/c17-11(10-8-13-5-6-14-10)16-15-7-9-1-3-12-4-2-9/h1-8H,(H,16,17) |
| InChIK | VCCLENDDTZTLBO-UHFFFAOYSA-N |
| TotalMolweight | 227.226 |
| Molweight | 227.226 |
| MonoisotopicMass | 227.08071 |
| CLogP | 0.2529 |
| CLogS | -1.36 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 183.27 |
| Relative PSA | 0.37606 |
| PolarSurfaceArea | 80.13 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-pyridin-4-ylmethylideneamino]pyrazine-2-carboxamide | 2 - N-[(E)-pyridin-4-ylmethylideneamino]pyrazine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off