GJG
6-(cyclohexylamino)pyridine-3-carboxamide
Created: | 2018-05-23 |
Last modified: | 2018-10-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 6-(cyclohexylamino)pyridine-3-carboxamide |
Systematic Name (OpenEye OEToolkits) | 6-(cyclohexylamino)pyridine-3-carboxamide |
Formula | C12 H17 N3 O |
Molecular Weight | 219.283 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(ccc1NC2CCCCC2)C(=O)N |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NC2CCCCC2)nc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1C(=O)N)NC2CCCCC2 |
Canonical SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NC2CCCCC2)nc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ncc1C(=O)N)NC2CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C12H17N3O/c13-12(16)9-6-7-11(14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,16)(H,14,15) |
InChIKey | InChI | 1.03 | DGZXVZSOZVPFDW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 3031415 |
ChEMBL | CHEMBL4279288 |