N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide
Formula:C15H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C15H16N4O2S |
| Smiles | O=C(c1cnccc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C15H16N4O2S/c20-15(12-2-1-5-16-10-12)18-17-11-13-3-4-14(22-13)19-6-8-21-9-7-19/h1-5,10-11H,6-9H2,(H,18,20) |
| InChIK | CVVMHUGTULEYPJ-UHFFFAOYSA-N |
| TotalMolweight | 316.384 |
| Molweight | 316.384 |
| MonoisotopicMass | 316.099396 |
| CLogP | 1.9259 |
| CLogS | -3.189 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 243.53 |
| Relative PSA | 0.33216 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | 6.2904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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