N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]pyridine-4-carboxamide
Formula:C22H15N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C22H15N5O2 |
| Smiles | O=C(c1ccncc1)N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H15N5O2/c28-21(14-9-11-23-12-10-14)26-27-22-16(13-15-5-1-4-8-19(15)29-22)20-24-17-6-2-3-7-18(17)25-20/h1-13H,(H,24,25)(H,26,28) |
| InChIK | ZVSJSRKCUJKNJM-UHFFFAOYSA-N |
| TotalMolweight | 381.394 |
| Molweight | 381.394 |
| MonoisotopicMass | 381.122575 |
| CLogP | 2.8495 |
| CLogS | -3.808 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 287.86 |
| Relative PSA | 0.28465 |
| PolarSurfaceArea | 92.26 |
| Druglikeness | 3.8389 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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