N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
Formula:C22H17N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H17N4OCl |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C22H17ClN4O/c23-20-7-3-1-5-17(20)14-27-15-18(19-6-2-4-8-21(19)27)13-25-26-22(28)16-9-11-24-12-10-16/h1-13,15H,14H2,(H,26,28) |
| InChIK | YFZGGQBBVYHSRO-UHFFFAOYSA-N |
| TotalMolweight | 388.857 |
| Molweight | 388.857 |
| MonoisotopicMass | 388.109088 |
| CLogP | 4.3364 |
| CLogS | -4.64 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.49 |
| Relative PSA | 0.18041 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.1595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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 | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off