N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C19H19N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C19H19N4O4Br |
| Smiles | O=C(COc(ccc(/C=N\NC(c1cnccc1)=O)c1)c1Br)N1CCOCC1 |
| InChI | InChI=1S/C19H19BrN4O4/c20-16-10-14(11-22-23-19(26)15-2-1-5-21-12-15)3-4-17(16)28-13-18(25)24-6-8-27-9-7-24/h1-5,10-12H,6-9,13H2,(H,23,26) |
| InChIK | OHMGHXCSWWKWJH-UHFFFAOYSA-N |
| TotalMolweight | 447.288 |
| Molweight | 447.288 |
| MonoisotopicMass | 446.058967 |
| CLogP | 2.1751 |
| CLogS | -3.25 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 307.73 |
| Relative PSA | 0.27157 |
| PolarSurfaceArea | 93.12 |
| Druglikeness | 4.2447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
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