OZU
~{N}-pyridin-3-ylpropanamide
Created: | 2022-09-28 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 21 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | ~{N}-pyridin-3-ylpropanamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-pyridin-3-ylpropanamide |
Formula | C8 H10 N2 O |
Molecular Weight | 150.178 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccnc1 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)Nc1cccnc1 |
Canonical SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccnc1 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)Nc1cccnc1 |
InChI | InChI | 1.06 | InChI=1S/C8H10N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) |
InChIKey | InChI | 1.06 | QQASUXQGFWJISL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5146703 |
CCDC/CSD | PAPSIK |
COD | 4501390 |