N-[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C19H18N6O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H18N6O3 |
| Smiles | O=C(c1ccncc1)N/N=C\C1=C(N2CCOCC2)N=C(C=CC=C2)N2C1=O |
| InChI | InChI=1S/C19H18N6O3/c26-18(14-4-6-20-7-5-14)23-21-13-15-17(24-9-11-28-12-10-24)22-16-3-1-2-8-25(16)19(15)27/h1-8,13H,9-12H2,(H,23,26) |
| InChIK | HWYXEPRVXVFQIN-UHFFFAOYSA-N |
| TotalMolweight | 378.391 |
| Molweight | 378.391 |
| MonoisotopicMass | 378.144039 |
| CLogP | -0.3344 |
| CLogS | -2.925 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 287.77 |
| Relative PSA | 0.30799 |
| PolarSurfaceArea | 99.49 |
| Druglikeness | 6.5844 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-4-carboxamide
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