N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C25H17N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C25H17N5O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C25H17N5O3/c31-24(17-10-12-26-13-11-17)28-27-15-19-16-30(20-7-2-1-3-8-20)29-23(19)21-14-18-6-4-5-9-22(18)33-25(21)32/h1-16H,(H,28,31) |
| InChIK | OCPYBZGBRIAQOE-UHFFFAOYSA-N |
| TotalMolweight | 435.442 |
| Molweight | 435.442 |
| MonoisotopicMass | 435.13314 |
| CLogP | 2.5165 |
| CLogS | -4.396 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 332.19 |
| Relative PSA | 0.26449 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 6.004 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
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