N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]pyridine-2-carboxamide
Formula:C18H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]pyridine-2-carboxamide |
| MolecularFormula | C18H14N4O |
| Smiles | O=C(c1ncccc1)N/N=C(\c1ccccc1)/c1cnccc1 |
| InChI | InChI=1S/C18H14N4O/c23-18(16-10-4-5-12-20-16)22-21-17(14-7-2-1-3-8-14)15-9-6-11-19-13-15/h1-13H,(H,22,23) |
| InChIK | JTJCJLVNFIBJME-UHFFFAOYSA-N |
| TotalMolweight | 302.336 |
| Molweight | 302.336 |
| MonoisotopicMass | 302.116761 |
| CLogP | 2.4505 |
| CLogS | -3.931 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.48 |
| Relative PSA | 0.23899 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 3.3384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]pyridine-2-carboxamide | 2 - N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]pyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off