A1CYA
(2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide
| Created: | 2025-10-10 |
| Last modified: | 2025-12-10 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 23 |
| Chiral Atom Count | 1 |
| Bond Count | 23 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide |
| Systematic Name (OpenEye OEToolkits) | (~{N}~{Z},2~{R})-2-oxidanyl-~{N}-(pyridin-2-ylmethylidene)propanamide |
| Formula | C9 H10 N2 O2 |
| Molecular Weight | 178.188 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(O)C(=O)/N=C\c1ccccn1 |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)N=Cc1ccccn1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(=O)N=Cc1ccccn1)O |
| Canonical SMILES | CACTVS | 3.385 | C[C@@H](O)C(=O)N=Cc1ccccn1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | C[C@H](C(=O)/N=C\c1ccccn1)O |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-7,12H,1H3/b11-6-/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | JCEANOGUMUZUGE-KLDHPSGWSA-N |
