N-[(Z)-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C24H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C24H19N5O4 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cnccc2)=O)c1)Nc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H19N5O4/c30-23(27-18-7-8-21-22(10-18)33-15-32-21)14-29-13-17(19-5-1-2-6-20(19)29)12-26-28-24(31)16-4-3-9-25-11-16/h1-13H,14-15H2,(H,27,30)(H,28,31) |
| InChIK | MTSIADZKADBFHH-UHFFFAOYSA-N |
| TotalMolweight | 441.446 |
| Molweight | 441.446 |
| MonoisotopicMass | 441.143705 |
| CLogP | 3.1264 |
| CLogS | -4.804 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 332.54 |
| Relative PSA | 0.29575 |
| PolarSurfaceArea | 106.84 |
| Druglikeness | 6.6202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
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