C102H103F9N16O15 — CID 161133218
2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 161133218) has the molecular formula C102H103F9N16O15 and a molecular weight of 1964.02 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 161133218 |
| Molecular Formula | C102H103F9N16O15 |
| Molecular Weight | 1964.02 g/mol |
| Exact Mass | 1962.76 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide |
| SMILES | Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c[nH]c(=O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H31N5O4.2C25H25F3N4O4.C24H22F3N3O3/c1-19-4-5-22(31-26(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(32-9-12-37-13-10-32)27(36)33(17-21)8-11-34;1-16-21(18-12-22(31-6-9-36-10-7-31)24(35)32(15-18)5-8-33)13-20(14-29-16)30-23(34)17-3-2-4-19(11-17)25(26,27)28;1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28;1-15-5-6-19(29-22(31)16-3-2-4-18(11-16)24(25,26)27)13-20(15)17-12-21(23(32)28-14-17)30-7-9-33-10-8-30/h4-7,14-17,34H,8-13H2,1-3H3,(H,31,35);2-4,11-15,33H,5-10H2,1H3,(H,30,34);2-4,11-15,33H,5-10H2,1H3,(H,31,34);2-6,11-14H,7-10H2,1H3,(H,28,32)(H,29,31) |
| InChIKey | UMLVXXGEPHPVRI-UHFFFAOYSA-N |
| XLogP | 14.81 |
| TPSA | 388.41 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1964.02 |
| LogP ≤ 5 | 14.81 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |