N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H13N5O |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c2cnccc2)=O)c1 |
| InChI | InChI=1S/C17H13N5O/c18-7-9-22-12-14(15-5-1-2-6-16(15)22)11-20-21-17(23)13-4-3-8-19-10-13/h1-6,8,10-12H,9H2,(H,21,23) |
| InChIK | QVQAPVPLWUZDSE-UHFFFAOYSA-N |
| TotalMolweight | 303.324 |
| Molweight | 303.324 |
| MonoisotopicMass | 303.11201 |
| CLogP | 1.8745 |
| CLogS | -3.267 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.02 |
| Relative PSA | 0.27512 |
| PolarSurfaceArea | 83.07 |
| Druglikeness | 1.8717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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