3-amino-4,6-bis(furan-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide
Formula:C22H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-4,6-bis(furan-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 3-amino-4,6-bis(furan-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide |
| MolecularFormula | C22H15N5O4 |
| Smiles | Nc1c(C(N/N=C\c2cnccc2)=O)oc2c1c(-c1ccco1)cc(-c1ccco1)n2 |
| InChI | InChI=1S/C22H15N5O4/c23-19-18-14(16-5-2-8-29-16)10-15(17-6-3-9-30-17)26-22(18)31-20(19)21(28)27-25-12-13-4-1-7-24-11-13/h1-12H,23H2,(H,27,28) |
| InChIK | WJLCXHLJYYHQBC-UHFFFAOYSA-N |
| TotalMolweight | 413.392 |
| Molweight | 413.392 |
| MonoisotopicMass | 413.112405 |
| CLogP | 3.1718 |
| CLogS | -6.799 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 316.22 |
| Relative PSA | 0.36541 |
| PolarSurfaceArea | 132.68 |
| Druglikeness | 4.3604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-amino-4,6-bis(furan-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide | 2 - 3-amino-4,6-bis(furan-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide
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