C136H147ClF4N20O20 — CID 159846809
2-chloro-N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159846809) has the molecular formula C136H147ClF4N20O20 and a molecular weight of 2493.24 g/mol. Its IUPAC name is 2-chloro-N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | 2-chloro-N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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| PubChem CID | 159846809 |
| Molecular Formula | C136H147ClF4N20O20 |
| Molecular Weight | 2493.24 g/mol |
| Exact Mass | 2491.07 |
| IUPAC Name | 2-chloro-N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cncc(C)c3)cc2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C(F)(F)F)n3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(Cl)c3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(F)c3)c2)o1)C1CCCCC1 |
| InChI | InChI=1S/C28H29F3N4O4.C27H29ClN4O4.C27H29FN4O4.2C27H30N4O4/c1-32-27(38)24(18-8-3-2-4-9-18)35-26(37)22-14-13-21(39-22)19-10-5-7-17(15-19)16-33-25(36)20-11-6-12-23(34-20)28(29,30)31;2*1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20;1-17-7-6-10-21(29-17)25(32)30-20-13-11-18(12-14-20)22-15-16-23(35-22)26(33)31-24(27(34)28-2)19-8-4-3-5-9-19;1-17-14-20(16-29-15-17)25(32)30-21-10-8-18(9-11-21)22-12-13-23(35-22)26(33)31-24(27(34)28-2)19-6-4-3-5-7-19/h5-7,10-15,18,24H,2-4,8-9,16H2,1H3,(H,32,38)(H,33,36)(H,35,37);2*5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34);6-7,10-16,19,24H,3-5,8-9H2,1-2H3,(H,28,34)(H,30,32)(H,31,33);8-16,19,24H,3-7H2,1-2H3,(H,28,34)(H,30,32)(H,31,33)/t5*24-/m00000/s1 |
| InChIKey | NPKJOEKXSSTSRB-JECZECCASA-N |
| XLogP | 21.55 |
| TPSA | 566.65 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2493.24 |
| LogP ≤ 5 | 21.55 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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