N-benzyl-2-(3-methoxyanilino)pyridine-3-carboxamide
Formula:C20H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-(3-methoxyanilino)pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-benzyl-2-(3-methoxyanilino)pyridine-3-carboxamide |
| MolecularFormula | C20H19N3O2 |
| Smiles | COc1cccc(Nc(nccc2)c2C(NCc2ccccc2)=O)c1 |
| InChI | InChI=1S/C20H19N3O2/c1-25-17-10-5-9-16(13-17)23-19-18(11-6-12-21-19)20(24)22-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,21,23)(H,22,24) |
| InChIK | BXLQDAXOFDYPGK-UHFFFAOYSA-N |
| TotalMolweight | 333.39 |
| Molweight | 333.39 |
| MonoisotopicMass | 333.147727 |
| CLogP | 3.3274 |
| CLogS | -4.27 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.23 |
| Relative PSA | 0.21224 |
| PolarSurfaceArea | 63.25 |
| Druglikeness | 1.3097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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