3-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]pyridin-2-amine
Formula:C16H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C16H17N5O2 |
| Smiles | [O-][N+](c1c(N/N=C\c(cc2)ccc2N2CCCC2)nccc1)=O |
| InChI | InChI=1S/C16H17N5O2/c22-21(23)15-4-3-9-17-16(15)19-18-12-13-5-7-14(8-6-13)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,17,19) |
| InChIK | OYSHHJYFRREPNM-UHFFFAOYSA-N |
| TotalMolweight | 311.344 |
| Molweight | 311.344 |
| MonoisotopicMass | 311.138225 |
| CLogP | 3.7608 |
| CLogS | -4.061 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 243.51 |
| Relative PSA | 0.27888 |
| PolarSurfaceArea | 86.34 |
| Druglikeness | -1.0912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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