N-[(Z)-3-phenylprop-2-ynylideneamino]pyridine-4-carboxamide
Formula:C15H11N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-3-phenylprop-2-ynylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-3-phenylprop-2-ynylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H11N3O |
| Smiles | O=C(c1ccncc1)N/N=C\C#Cc1ccccc1 |
| InChI | InChI=1S/C15H11N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12H,(H,18,19) |
| InChIK | OWGYAEOFFFFYHW-UHFFFAOYSA-N |
| TotalMolweight | 249.272 |
| Molweight | 249.272 |
| MonoisotopicMass | 249.090212 |
| CLogP | 2.1497 |
| CLogS | -3.605 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.55 |
| Relative PSA | 0.21795 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 0.73871 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-3-phenylprop-2-ynylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-3-phenylprop-2-ynylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off