C209H219N19O11S9 — CID 159125902
azepan-1-yl-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2,6-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,5-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(4-hydroxypiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;1-[6-(naphthalen-1-ylsulfanylmethyl)pyridine-2-carbonyl]piperidine-3-carboxamide;[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 159125902) has the molecular formula C209H219N19O11S9 and a molecular weight of 3461.78 g/mol. Its IUPAC name is azepan-1-yl-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2,6-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,5-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(4-hydroxypiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;1-[6-(naphthalen-1-ylsulfanylmethyl)pyridine-2-carbonyl]piperidine-3-carboxamide;[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]-piperidin-1-ylmethanone.
| Compound Name | azepan-1-yl-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2,6-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,5-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(4-hydroxypiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;1-[6-(naphthalen-1-ylsulfanylmethyl)pyridine-2-carbonyl]piperidine-3-carboxamide;[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]-piperidin-1-ylmethanone |
|---|---|
| PubChem CID | 159125902 |
| Molecular Formula | C209H219N19O11S9 |
| Molecular Weight | 3461.78 g/mol |
| Exact Mass | 3458.46 |
| IUPAC Name | azepan-1-yl-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2,6-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3,5-dimethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(4-hydroxypiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]methanone;1-[6-(naphthalen-1-ylsulfanylmethyl)pyridine-2-carbonyl]piperidine-3-carboxamide;[6-(naphthalen-1-ylsulfanylmethyl)-2-pyridinyl]-piperidin-1-ylmethanone |
| SMILES | CC1(C)CCCN(C(=O)c2cccc(CSc3cccc4ccccc34)n2)C1.CC1CC(C)CN(C(=O)c2cccc(CSc3cccc4ccccc34)n2)C1.CC1CCCC(C)N1C(=O)c1cccc(CSc2cccc3ccccc23)n1.CC1CCCN(C(=O)c2cccc(CSc3cccc4ccccc34)n2)C1.CCC1CCCCN1C(=O)c1cccc(CSc2cccc3ccccc23)n1.NC(=O)C1CCCN(C(=O)c2cccc(CSc3cccc4ccccc34)n2)C1.O=C(c1cccc(CSc2cccc3ccccc23)n1)N1CCC(O)CC1.O=C(c1cccc(CSc2cccc3ccccc23)n1)N1CCCCC1.O=C(c1cccc(CSc2cccc3ccccc23)n1)N1CCCCCC1 |
| InChI | InChI=1S/4C24H26N2OS.C23H23N3O2S.2C23H24N2OS.C22H22N2O2S.C22H22N2OS/c1-17-8-5-9-18(2)26(17)24(27)22-14-7-12-20(25-22)16-28-23-15-6-11-19-10-3-4-13-21(19)23;1-24(2)14-7-15-26(17-24)23(27)21-12-6-10-19(25-21)16-28-22-13-5-9-18-8-3-4-11-20(18)22;1-17-13-18(2)15-26(14-17)24(27)22-11-6-9-20(25-22)16-28-23-12-5-8-19-7-3-4-10-21(19)23;1-2-20-12-5-6-16-26(20)24(27)22-14-8-11-19(25-22)17-28-23-15-7-10-18-9-3-4-13-21(18)23;24-22(27)17-8-5-13-26(14-17)23(28)20-11-4-9-18(25-20)15-29-21-12-3-7-16-6-1-2-10-19(16)21;1-17-7-6-14-25(15-17)23(26)21-12-5-10-19(24-21)16-27-22-13-4-9-18-8-2-3-11-20(18)22;26-23(25-15-5-1-2-6-16-25)21-13-8-11-19(24-21)17-27-22-14-7-10-18-9-3-4-12-20(18)22;25-18-11-13-24(14-12-18)22(26)20-9-4-7-17(23-20)15-27-21-10-3-6-16-5-1-2-8-19(16)21;25-22(24-14-4-1-5-15-24)20-12-7-10-18(23-20)16-26-21-13-6-9-17-8-2-3-11-19(17)21/h3-4,6-7,10-15,17-18H,5,8-9,16H2,1-2H3;3-6,8-13H,7,14-17H2,1-2H3;3-12,17-18H,13-16H2,1-2H3;3-4,7-11,13-15,20H,2,5-6,12,16-17H2,1H3;1-4,6-7,9-12,17H,5,8,13-15H2,(H2,24,27);2-5,8-13,17H,6-7,14-16H2,1H3;3-4,7-14H,1-2,5-6,15-17H2;1-10,18,25H,11-15H2;2-3,6-13H,1,4-5,14-16H2 |
| InChIKey | KGGQFJRIARJOPE-UHFFFAOYSA-N |
| XLogP | 47.38 |
| TPSA | 362.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3461.78 |
| LogP ≤ 5 | 47.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 29 |