C123H170F2N18O19S4 — CID 158337828
N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide (PubChem CID 158337828) has the molecular formula C123H170F2N18O19S4 and a molecular weight of 2371.08 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide.
| Compound Name | N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide |
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| PubChem CID | 158337828 |
| Molecular Formula | C123H170F2N18O19S4 |
| Molecular Weight | 2371.08 g/mol |
| Exact Mass | 2369.17 |
| IUPAC Name | N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide |
| SMILES | C#CCNC(=O)c1cc(C(C)C)cnc1OC.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(CS(=O)(=O)c2ccc(F)cc2F)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCCNC(=O)c1cncc(C(C)C)c1.CCNC(=O)c1cncc(C(C)C)c1.COc1ncc(C(C)C)cc1C(=O)NC1CCOC1.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1C(=O)NCC1CC1 |
| InChI | InChI=1S/C15H15F2NO2S.C14H20N2O3.C14H20N2O2.C13H16N2O2.C12H15N3O2.C12H18N2O.C12H19NO2S.C11H18N2O2S.C11H16N2O.C9H13NO2S/c1-10(2)12-5-11(7-18-8-12)9-21(19,20)15-4-3-13(16)6-14(15)17;1-9(2)10-6-12(14(18-3)15-7-10)13(17)16-11-4-5-19-8-11;1-9(2)11-6-12(14(18-3)16-8-11)13(17)15-7-10-4-5-10;1-5-6-14-12(16)11-7-10(9(2)3)8-15-13(11)17-4;1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-4-5-14-12(15)11-6-10(9(2)3)7-13-8-11;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-4-13-11(14)10-5-9(8(2)3)6-12-7-10;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h3-8,10H,9H2,1-2H3;6-7,9,11H,4-5,8H2,1-3H3,(H,16,17);6,8-10H,4-5,7H2,1-3H3,(H,15,17);1,7-9H,6H2,2-4H3,(H,14,16);6-8H,5H2,1-3H3,(H,14,16);6-9H,4-5H2,1-3H3,(H,14,15);5-7,9-10H,8H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,4H2,1-3H3,(H,13,14);4-7H,1-3H3 |
| InChIKey | GQULCGZDAHWGAR-UHFFFAOYSA-N |
| XLogP | 20.62 |
| TPSA | 513.24 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2371.08 |
| LogP ≤ 5 | 20.62 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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