N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
Formula:C17H11N5O2ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C17H11N5O2ClF |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1Oc(nc(nc1)Cl)c1F |
| InChI | InChI=1S/C17H11ClFN5O2/c18-17-21-10-14(19)16(23-17)26-13-3-1-11(2-4-13)9-22-24-15(25)12-5-7-20-8-6-12/h1-10H,(H,24,25) |
| InChIK | NUXCVCCIKHNLAQ-UHFFFAOYSA-N |
| TotalMolweight | 371.758 |
| Molweight | 371.758 |
| MonoisotopicMass | 371.05853 |
| CLogP | 3.3334 |
| CLogS | -5.563 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 274.8 |
| Relative PSA | 0.28719 |
| PolarSurfaceArea | 89.36 |
| Druglikeness | 2.9958 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
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