N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
Formula:C17H13N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C17H13N3O4 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c1ccco1)Nc1ncccc1 |
| InChI | InChI=1S/C17H13N3O4/c21-16(20-15-7-1-2-8-18-15)13(11-12-5-3-9-23-12)19-17(22)14-6-4-10-24-14/h1-11H,(H,19,22)(H,18,20,21) |
| InChIK | SMTMLLSIVPHTSB-UHFFFAOYSA-N |
| TotalMolweight | 323.307 |
| Molweight | 323.307 |
| MonoisotopicMass | 323.090607 |
| CLogP | 2.1517 |
| CLogS | -3.967 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 254.05 |
| Relative PSA | 0.34714 |
| PolarSurfaceArea | 97.37 |
| Druglikeness | 2.8166 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(E)-1-(furan-2-yl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off