3D6
Summary
| Name: | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide |
| Formula: | C18 H24 N4 O |
| Formal charge: | 0 |
| Formula weight: | 312.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide |
| OpenEye OEToolkits | 1.9.2 | (2S)-6-azanyl-2-[(4-pyridin-3-ylphenyl)methylamino]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | KSWNFCZKQDWGEE-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC[C@H](NCc1ccc(cc1)c2cccnc2)C(N)=O |
| SMILES | CACTVS | 3.385 | NCCCC[CH](NCc1ccc(cc1)c2cccnc2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ccc(cc2)CNC(CCCCN)C(=O)N |
