N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C21H24N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C21H24N6O5 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cnccc1)=O)c(N1CCOCC1)c1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C21H24N6O5/c28-21(16-2-1-3-22-14-16)24-23-15-17-12-20(27(29)30)19(26-6-10-32-11-7-26)13-18(17)25-4-8-31-9-5-25/h1-3,12-15H,4-11H2,(H,24,28) |
| InChIK | VULVYNVUWRFOLB-UHFFFAOYSA-N |
| TotalMolweight | 440.459 |
| Molweight | 440.459 |
| MonoisotopicMass | 440.180819 |
| CLogP | 0.6171 |
| CLogS | -3.592 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 333.1 |
| Relative PSA | 0.31372 |
| PolarSurfaceArea | 125.11 |
| Druglikeness | 0.014355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off