8XT
Summary
| Name: | ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
| Formula: | C15 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.345 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | RPMGXDCRCWWCRY-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1[nH]c2nccc(N3CCOC[C@@H]3C)c2c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1[nH]c2nccc(N3CCOC[CH]3C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOCC3C |
