HW9
Summary
| Name: | 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine |
| Formula: | C22 H32 N4 O |
| Formal charge: | 0 |
| Formula weight: | 368.516 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 4-methyl-6-[[(3R,4R)-4-[5-(4-methylpyridin-2-yl)pentoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CCCCCc1nccc(c1)C)C2C(CNC2)Cc3nc(N)cc(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | ZWYPXJQSZOXLSP-NQIIRXRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc3cc(C)cc(N)n3)c1 |
| SMILES | CACTVS | 3.370 | Cc1ccnc(CCCCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccnc(c1)CCCCCOC2CNCC2Cc3cc(cc(n3)N)C |
