ULK
~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
Created: | 2021-03-01 |
Last modified: | 2021-07-21 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 3 |
Bond Count | 48 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
Systematic Name (OpenEye OEToolkits) | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
Formula | C19 H21 N3 O3 |
Molecular Weight | 339.388 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc3)O |
Canonical SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[C@H]3C[C@@H]3C |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3/c1-11-8-14(11)22-18(24)13-9-15(21-16(10-13)19(25)20-2)17(23)12-6-4-3-5-7-12/h3-7,9-11,14,17,23H,8H2,1-2H3,(H,20,25)(H,22,24)/t11-,14-,17-/m0/s1 |
InChIKey | InChI | 1.03 | OJSKWCXPUVTNCF-YLVFBTJISA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 132185559 |