1-(3-bromophenyl)-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C24H17N4OBr
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(3-bromophenyl)-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-(3-bromophenyl)-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C24H17N4OBr |
| Smiles | O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCc1cnccc1 |
| InChI | InChI=1S/C24H17BrN4O/c25-17-7-3-6-16(11-17)22-23-19(18-8-1-2-9-20(18)28-23)12-21(29-22)24(30)27-14-15-5-4-10-26-13-15/h1-13,28H,14H2,(H,27,30) |
| InChIK | OILXAFOIQPCNTQ-UHFFFAOYSA-N |
| TotalMolweight | 457.33 |
| Molweight | 457.33 |
| MonoisotopicMass | 456.058572 |
| CLogP | 4.4004 |
| CLogS | -6.016 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 310.67 |
| Relative PSA | 0.19452 |
| PolarSurfaceArea | 70.67 |
| Druglikeness | -0.495 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 1-(3-bromophenyl)-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(3-bromophenyl)-N-(pyridin-3-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off