N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]pyridine-4-carboxamide
Formula:C20H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C20H14N4O3 |
| Smiles | N/C(/C1=Cc(c2ccccc2cc2)c2OC1=O)=N/NC(c1ccncc1)=O |
| InChI | InChI=1S/C20H14N4O3/c21-18(23-24-19(25)13-7-9-22-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)27-20(16)26/h1-11H,(H2,21,23)(H,24,25) |
| InChIK | YOBBVPMCVIRQQI-UHFFFAOYSA-N |
| TotalMolweight | 358.356 |
| Molweight | 358.356 |
| MonoisotopicMass | 358.106591 |
| CLogP | 2.0657 |
| CLogS | -4.637 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 266.04 |
| Relative PSA | 0.32059 |
| PolarSurfaceArea | 106.67 |
| Druglikeness | 3.8072 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]pyridine-4-carboxamide | 2 - N-[(E)-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]amino]pyridine-4-carboxamide
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