N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
Formula:C29H21N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C29H21N5O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=N\NC(c2ccncc2)=O)cc1-c1ccccc1)=O |
| InChI | InChI=1S/C29H21N5O3/c35-29(23-15-17-30-18-16-23)32-31-20-24-19-27(21-7-3-1-4-8-21)33(28(24)22-9-5-2-6-10-22)25-11-13-26(14-12-25)34(36)37/h1-20H,(H,32,35) |
| InChIK | UKKABDDUEVQKQH-UHFFFAOYSA-N |
| TotalMolweight | 487.518 |
| Molweight | 487.518 |
| MonoisotopicMass | 487.16444 |
| CLogP | 4.9644 |
| CLogS | -9.255 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 377.9 |
| Relative PSA | 0.223 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 0.44569 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
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