N-[(Z)-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
Formula:C20H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide |
| MolecularFormula | C20H19N5O2 |
| Smiles | O=C(c1ccccc1)N/N=C\C1=C(N2CCCC2)N=C(C=CC=C2)N2C1=O |
| InChI | InChI=1S/C20H19N5O2/c26-19(15-8-2-1-3-9-15)23-21-14-16-18(24-11-6-7-12-24)22-17-10-4-5-13-25(17)20(16)27/h1-5,8-10,13-14H,6-7,11-12H2,(H,23,26) |
| InChIK | IVGMISNIVVACGP-UHFFFAOYSA-N |
| TotalMolweight | 361.404 |
| Molweight | 361.404 |
| MonoisotopicMass | 361.153875 |
| CLogP | 1.4885 |
| CLogS | -4.339 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279.01 |
| Relative PSA | 0.2425 |
| PolarSurfaceArea | 77.37 |
| Druglikeness | 7.2457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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