N-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyrazine-2-carboxamide
Formula:C21H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C21H17N5O |
| Smiles | O=C(c1nccnc1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C21H17N5O/c27-21(19-13-22-10-11-23-19)25-24-12-17-15-26(14-16-6-2-1-3-7-16)20-9-5-4-8-18(17)20/h1-13,15H,14H2,(H,25,27) |
| InChIK | OYAYTEYUNCBYKY-UHFFFAOYSA-N |
| TotalMolweight | 355.4 |
| Molweight | 355.4 |
| MonoisotopicMass | 355.14331 |
| CLogP | 2.7835 |
| CLogS | -3.133 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.83 |
| Relative PSA | 0.23 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.1517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyrazine-2-carboxamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyrazine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off