Q16
Summary
| Name: | 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine |
| Formula: | C19 H27 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 357.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-({[(3S,5R)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 1.9.2 | 6-[[(2R,4S)-4-[(6-azanyl-4-methyl-pyridin-2-yl)methoxy]pyrrolidin-2-yl]methoxymethyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(cc1N)C)COC2CC(NC2)COCc3nc(N)cc(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1 |
| InChIKey | InChI | 1.03 | NUKSCYDKRQJOFO-PBHICJAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc3cc(C)cc(N)n3)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(COC[CH]2C[CH](CN2)OCc3cc(C)cc(N)n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(c1)N)COCC2CC(CN2)OCc3cc(cc(n3)N)C |
