N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide
Formula:C15H10N5O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C15H10N5O2Cl |
| Smiles | O=C(c1cnccc1)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Cl |
| InChI | InChI=1S/C15H10ClN5O2/c16-13-11(15(23)21-7-2-1-5-12(21)19-13)9-18-20-14(22)10-4-3-6-17-8-10/h1-9H,(H,20,22) |
| InChIK | CUKVDIKXSAKVOY-UHFFFAOYSA-N |
| TotalMolweight | 327.73 |
| Molweight | 327.73 |
| MonoisotopicMass | 327.052302 |
| CLogP | 0.2364 |
| CLogS | -2.994 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 241.35 |
| Relative PSA | 0.31108 |
| PolarSurfaceArea | 87.02 |
| Druglikeness | 6.5775 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]pyridine-3-carboxamide
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