N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide
Formula:C21H15N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide |
| MolecularFormula | C21H15N7O3 |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cc(-c3cnccc3)nn2-c2ncccc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H15N7O3/c29-21(25-24-14-16-6-1-2-8-18(16)28(30)31)19-12-17(15-7-5-10-22-13-15)26-27(19)20-9-3-4-11-23-20/h1-14H,(H,25,29) |
| InChIK | DFTXBWHJTAODLY-UHFFFAOYSA-N |
| TotalMolweight | 413.396 |
| Molweight | 413.396 |
| MonoisotopicMass | 413.123638 |
| CLogP | 2.5208 |
| CLogS | -3.243 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 315.66 |
| Relative PSA | 0.33647 |
| PolarSurfaceArea | 130.88 |
| Druglikeness | 1.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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