C126H142N20O16 — CID 159533672
N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-methoxyphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[6-[(4-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide) (PubChem CID 159533672) has the molecular formula C126H142N20O16 and a molecular weight of 2192.65 g/mol. Its IUPAC name is N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-methoxyphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[6-[(4-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide).
| Compound Name | N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-methoxyphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[6-[(4-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide) |
|---|---|
| PubChem CID | 159533672 |
| Molecular Formula | C126H142N20O16 |
| Molecular Weight | 2192.65 g/mol |
| Exact Mass | 2191.09 |
| IUPAC Name | N-[[6-[(3-ethylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(2-methoxyphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[(3-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;bis(N-[[6-[(4-methylphenyl)methylcarbamoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide) |
| SMILES | CCc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1.COc1ccccc1CNC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.Cc1ccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.Cc1ccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.Cc1cccc(CNC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)c1 |
| InChI | InChI=1S/C26H30N4O3.C25H28N4O4.3C25H28N4O3/c1-2-18-4-3-5-19(12-18)15-29-25(32)30-10-7-26(8-11-30)14-21(26)16-28-24(31)22-13-20-6-9-27-17-23(20)33-22;1-32-20-5-3-2-4-18(20)14-28-24(31)29-10-7-25(8-11-29)13-19(25)15-27-23(30)21-12-17-6-9-26-16-22(17)33-21;2*1-17-2-4-18(5-3-17)14-28-24(31)29-10-7-25(8-11-29)13-20(25)15-27-23(30)21-12-19-6-9-26-16-22(19)32-21;1-17-3-2-4-18(11-17)14-28-24(31)29-9-6-25(7-10-29)13-20(25)15-27-23(30)21-12-19-5-8-26-16-22(19)32-21/h3-6,9,12-13,17,21H,2,7-8,10-11,14-16H2,1H3,(H,28,31)(H,29,32);2-6,9,12,16,19H,7-8,10-11,13-15H2,1H3,(H,27,30)(H,28,31);2*2-6,9,12,16,20H,7-8,10-11,13-15H2,1H3,(H,27,30)(H,28,31);2-5,8,11-12,16,20H,6-7,9-10,13-15H2,1H3,(H,27,30)(H,28,31) |
| InChIKey | MDHYOFXRENILQQ-UHFFFAOYSA-N |
| XLogP | 19.34 |
| TPSA | 446.58 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2192.65 |
| LogP ≤ 5 | 19.34 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |