N-[(Z)-[2-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C22H20N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[3-(2-chlorophenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H20N3O3Cl |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OCCCOc(cccc1)c1Cl |
| InChI | InChI=1S/C22H20ClN3O3/c23-19-7-2-4-9-21(19)29-15-5-14-28-20-8-3-1-6-18(20)16-25-26-22(27)17-10-12-24-13-11-17/h1-4,6-13,16H,5,14-15H2,(H,26,27) |
| InChIK | CPYUIKHHYGWUKS-UHFFFAOYSA-N |
| TotalMolweight | 409.872 |
| Molweight | 409.872 |
| MonoisotopicMass | 409.119319 |
| CLogP | 4.6161 |
| CLogS | -5.2 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.21 |
| Relative PSA | 0.20788 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 3.6931 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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