N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C21H21N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C21H21N5O3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cnccc2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C21H21N5O3/c27-20(25-8-10-29-11-9-25)15-26-14-17(18-5-1-2-6-19(18)26)13-23-24-21(28)16-4-3-7-22-12-16/h1-7,12-14H,8-11,15H2,(H,24,28) |
| InChIK | PPFCKHUQCSFYGN-UHFFFAOYSA-N |
| TotalMolweight | 391.43 |
| Molweight | 391.43 |
| MonoisotopicMass | 391.16444 |
| CLogP | 1.5418 |
| CLogS | -2.291 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 302.9 |
| Relative PSA | 0.26557 |
| PolarSurfaceArea | 88.82 |
| Druglikeness | 6.247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
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