4GZ
Summary
| Name: | 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide |
| Formula: | C23 H30 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.51 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[[1-[2-[(3-methylphenyl)carbonylamino]ethyl]cyclohexyl]methylamino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1)C(NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C23H30N4O2/c1-17-6-5-7-18(14-17)22(29)25-13-12-23(10-3-2-4-11-23)16-27-20-9-8-19(15-26-20)21(24)28/h5-9,14-15H,2-4,10-13,16H2,1H3,(H2,24,28)(H,25,29)(H,26,27) |
| InChIKey | InChI | 1.03 | BAQVREQCCQUZHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N |
