4-amino-3,5,6-trichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-2-carboxamide
Formula:C17H16N5O2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H16N5O2Cl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cc1)ccc1N1CCOCC1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C17H16Cl3N5O2/c18-12-14(21)13(19)16(20)23-15(12)17(26)24-22-9-10-1-3-11(4-2-10)25-5-7-27-8-6-25/h1-4,9H,5-8H2,(H2,21,23)(H,24,26) |
| InChIK | TZCSEPQVVCWHNA-UHFFFAOYSA-N |
| TotalMolweight | 428.706 |
| Molweight | 428.706 |
| MonoisotopicMass | 427.036956 |
| CLogP | 3.1618 |
| CLogS | -5.1 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 302.37 |
| Relative PSA | 0.25069 |
| PolarSurfaceArea | 92.84 |
| Druglikeness | 5.0974 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-2-carboxamide
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