[(E)-[amino(pyridin-2-yl)methylidene]amino] 1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
Formula:C19H15N4O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate |
| MolecularFormula | C19H15N4O3Cl |
| Smiles | N/C(/c1ncccc1)=N/OC(C(C=C1)=CN(Cc(cc2)ccc2Cl)C1=O)=O |
| InChI | InChI=1S/C19H15ClN4O3/c20-15-7-4-13(5-8-15)11-24-12-14(6-9-17(24)25)19(26)27-23-18(21)16-3-1-2-10-22-16/h1-10,12H,11H2,(H2,21,23) |
| InChIK | TYDGXBNLYXHTLX-UHFFFAOYSA-N |
| TotalMolweight | 382.806 |
| Molweight | 382.806 |
| MonoisotopicMass | 382.083268 |
| CLogP | 2.0568 |
| CLogS | -3.535 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.96 |
| Relative PSA | 0.2706 |
| PolarSurfaceArea | 97.88 |
| Druglikeness | 0.16463 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off