N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide
Formula:C17H18N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C17H18N4O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C17H18N4O2/c22-17(15-5-7-18-8-6-15)20-19-13-14-1-3-16(4-2-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22) |
| InChIK | LWGFBWMAJBIBAJ-UHFFFAOYSA-N |
| TotalMolweight | 310.356 |
| Molweight | 310.356 |
| MonoisotopicMass | 310.142976 |
| CLogP | 1.8697 |
| CLogS | -3.029 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 247.59 |
| Relative PSA | 0.24448 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 5.1193 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off