A1PSL
Summary
| Name: | N-[(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]oxane-4-carboxamide |
| Formula: | C14 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 259.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]oxane-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)oxane-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1ccnc2[NH]ccc21)C1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O2/c18-14(10-3-7-19-8-4-10)17-9-11-1-5-15-13-12(11)2-6-16-13/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.06 | KJVPDWGKBUNVRM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccnc2[nH]ccc12)C3CCOCC3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccnc2[nH]ccc12)C3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ccn2)CNC(=O)C3CCOCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ccn2)CNC(=O)C3CCOCC3 |
