N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H15N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H15N5O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2cnccc2)=O)c1)=O |
| InChI | InChI=1S/C17H15N5O2/c18-16(23)11-22-10-13(14-5-1-2-6-15(14)22)9-20-21-17(24)12-4-3-7-19-8-12/h1-10H,11H2,(H2,18,23)(H,21,24) |
| InChIK | CAGPAAHHGDBTFH-UHFFFAOYSA-N |
| TotalMolweight | 321.339 |
| Molweight | 321.339 |
| MonoisotopicMass | 321.122575 |
| CLogP | 0.9548 |
| CLogS | -2.67 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 249.58 |
| Relative PSA | 0.32919 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 7.0658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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