C92H96N16O12 — CID 159457443
N-[[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methylpyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 159457443) has the molecular formula C92H96N16O12 and a molecular weight of 1617.88 g/mol. Its IUPAC name is N-[[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methylpyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
| Compound Name | N-[[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methylpyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 159457443 |
| Molecular Formula | C92H96N16O12 |
| Molecular Weight | 1617.88 g/mol |
| Exact Mass | 1616.74 |
| IUPAC Name | N-[[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methylpyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-(6-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide |
| SMILES | Cc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cn1.Cc1cccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n1.Cc1cccnc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.Cc1cnccc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1 |
| InChI | InChI=1S/4C23H24N4O3/c1-15-12-24-7-3-18(15)22(29)27-8-4-23(5-9-27)11-17(23)13-26-21(28)19-10-16-2-6-25-14-20(16)30-19;1-15-2-3-17(12-25-15)22(29)27-8-5-23(6-9-27)11-18(23)13-26-21(28)19-10-16-4-7-24-14-20(16)30-19;1-15-3-2-7-25-20(15)22(29)27-9-5-23(6-10-27)12-17(23)13-26-21(28)18-11-16-4-8-24-14-19(16)30-18;1-15-3-2-4-18(26-15)22(29)27-9-6-23(7-10-27)12-17(23)13-25-21(28)19-11-16-5-8-24-14-20(16)30-19/h2-3,6-7,10,12,14,17H,4-5,8-9,11,13H2,1H3,(H,26,28);2-4,7,10,12,14,18H,5-6,8-9,11,13H2,1H3,(H,26,28);2-4,7-8,11,14,17H,5-6,9-10,12-13H2,1H3,(H,26,28);2-5,8,11,14,17H,6-7,9-10,12-13H2,1H3,(H,25,28) |
| InChIKey | LUDVXOVFRISUHM-UHFFFAOYSA-N |
| XLogP | 12.81 |
| TPSA | 353.32 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 120 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1617.88 |
| LogP ≤ 5 | 12.81 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |