N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide
Formula:C19H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C19H19N5O3 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C\c1cnccc1)NCCCn1cncc1 |
| InChI | InChI=1S/C19H19N5O3/c25-18(22-7-3-9-24-10-8-21-14-24)16(12-15-4-1-6-20-13-15)23-19(26)17-5-2-11-27-17/h1-2,4-6,8,10-14H,3,7,9H2,(H,22,25)(H,23,26) |
| InChIK | MULQKDORQADLPS-UHFFFAOYSA-N |
| TotalMolweight | 365.392 |
| Molweight | 365.392 |
| MonoisotopicMass | 365.14879 |
| CLogP | 0.995 |
| CLogS | -1.938 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 293.6 |
| Relative PSA | 0.31308 |
| PolarSurfaceArea | 102.05 |
| Druglikeness | 6.0004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide
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