1-phenyl-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C24H18N4O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-phenyl-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-phenyl-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C24H18N4O |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc1cnccc1 |
| InChI | InChI=1S/C24H18N4O/c29-24(26-15-16-7-6-12-25-14-16)21-13-19-18-10-4-5-11-20(18)27-23(19)22(28-21)17-8-2-1-3-9-17/h1-14,27H,15H2,(H,26,29) |
| InChIK | ZGDDRZHMTWSLPH-UHFFFAOYSA-N |
| TotalMolweight | 378.434 |
| Molweight | 378.434 |
| MonoisotopicMass | 378.148061 |
| CLogP | 3.6752 |
| CLogS | -5.182 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 292.04 |
| Relative PSA | 0.20692 |
| PolarSurfaceArea | 70.67 |
| Druglikeness | 1.295 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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