N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
Formula:C17H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H17N5O3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cnccc2)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C17H17N5O3/c23-17(13-4-3-7-18-11-13)20-19-12-14-10-15(22(24)25)5-6-16(14)21-8-1-2-9-21/h3-7,10-12H,1-2,8-9H2,(H,20,23) |
| InChIK | XYVNCQYGKGAMKX-UHFFFAOYSA-N |
| TotalMolweight | 339.354 |
| Molweight | 339.354 |
| MonoisotopicMass | 339.13314 |
| CLogP | 1.7701 |
| CLogS | -4.108 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 261.26 |
| Relative PSA | 0.30984 |
| PolarSurfaceArea | 103.41 |
| Druglikeness | 0.74185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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