C144H218N20O10S2 — CID 158390738
5-tert-butyl-N-cyclopropylpyridine-2-carboxamide;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-N-ethylpyridine-2-carboxamide;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;5-tert-butyl-2-methylsulfanylpyridine;3-tert-butyl-5-methylsulfonylpyridine;5-tert-butyl-2-(3-piperidin-1-ylpropoxy)pyridine;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)ethanone;4-[2-[(5-tert-butyl-2-pyridinyl)oxy]ethyl]morpholine;5-tert-butyl-2-pyrrolidin-1-ylpyridine (PubChem CID 158390738) has the molecular formula C144H218N20O10S2 and a molecular weight of 2453.59 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopropylpyridine-2-carboxamide;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-N-ethylpyridine-2-carboxamide;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;5-tert-butyl-2-methylsulfanylpyridine;3-tert-butyl-5-methylsulfonylpyridine;5-tert-butyl-2-(3-piperidin-1-ylpropoxy)pyridine;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)ethanone;4-[2-[(5-tert-butyl-2-pyridinyl)oxy]ethyl]morpholine;5-tert-butyl-2-pyrrolidin-1-ylpyridine.
| Compound Name | 5-tert-butyl-N-cyclopropylpyridine-2-carboxamide;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-N-ethylpyridine-2-carboxamide;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;5-tert-butyl-2-methylsulfanylpyridine;3-tert-butyl-5-methylsulfonylpyridine;5-tert-butyl-2-(3-piperidin-1-ylpropoxy)pyridine;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)ethanone;4-[2-[(5-tert-butyl-2-pyridinyl)oxy]ethyl]morpholine;5-tert-butyl-2-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 158390738 |
| Molecular Formula | C144H218N20O10S2 |
| Molecular Weight | 2453.59 g/mol |
| Exact Mass | 2451.66 |
| IUPAC Name | 5-tert-butyl-N-cyclopropylpyridine-2-carboxamide;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-N-ethylpyridine-2-carboxamide;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;5-tert-butyl-2-methylsulfanylpyridine;3-tert-butyl-5-methylsulfonylpyridine;5-tert-butyl-2-(3-piperidin-1-ylpropoxy)pyridine;N-(5-tert-butyl-2-pyridinyl)acetamide;1-(5-tert-butyl-2-pyridinyl)ethanone;4-[2-[(5-tert-butyl-2-pyridinyl)oxy]ethyl]morpholine;5-tert-butyl-2-pyrrolidin-1-ylpyridine |
| SMILES | CC(=O)Nc1ccc(C(C)(C)C)cn1.CC(=O)c1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccc(C(=O)NC2CC2)nc1.CC(C)(C)c1ccc(N2CCCC2)nc1.CC(C)(C)c1ccc(OCCCN2CCCCC2)nc1.CC(C)(C)c1ccc(OCCN2CCOCC2)nc1.CC(C)(C)c1cncc(S(C)(=O)=O)c1.CCNC(=O)c1ccc(C(C)(C)C)cn1.CN(C)c1ccc(C(C)(C)C)cn1.CNC(=O)c1ccc(C(C)(C)C)cn1.CSc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1 |
| InChI | InChI=1S/C17H28N2O.C15H24N2O2.C13H18N2O.C13H20N2.C12H18N2O.2C11H16N2O.C11H18N2.C11H15NO.C10H15NO2S.C10H15NS.C10H15N/c1-17(2,3)15-8-9-16(18-14-15)20-13-7-12-19-10-5-4-6-11-19;1-15(2,3)13-4-5-14(16-12-13)19-11-8-17-6-9-18-10-7-17;1-13(2,3)9-4-7-11(14-8-9)12(16)15-10-5-6-10;1-13(2,3)11-6-7-12(14-10-11)15-8-4-5-9-15;1-5-13-11(15)10-7-6-9(8-14-10)12(2,3)4;1-11(2,3)8-5-6-9(13-7-8)10(14)12-4;1-8(14)13-10-6-5-9(7-12-10)11(2,3)4;1-11(2,3)9-6-7-10(12-8-9)13(4)5;1-8(13)10-6-5-9(7-12-10)11(2,3)4;1-10(2,3)8-5-9(7-11-6-8)14(4,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4/h8-9,14H,4-7,10-13H2,1-3H3;4-5,12H,6-11H2,1-3H3;4,7-8,10H,5-6H2,1-3H3,(H,15,16);6-7,10H,4-5,8-9H2,1-3H3;6-8H,5H2,1-4H3,(H,13,15);5-7H,1-4H3,(H,12,14);5-7H,1-4H3,(H,12,13,14);6-8H,1-5H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3 |
| InChIKey | GWXVQSJCOJVQNU-UHFFFAOYSA-N |
| XLogP | 29.78 |
| TPSA | 362.94 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2453.59 |
| LogP ≤ 5 | 29.78 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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