About (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide
(2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide (PubChem CID 159993376) has the molecular formula C142H148F15N19O34+2
and a molecular weight of 2949.81 g/mol. Its IUPAC name is (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide?
The IUPAC name of (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide (CID 159993376) is (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide?
The canonical SMILES for (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide is COc1nc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)ccc1-c1ccccc1OC(F)(F)F.N#Cc1nc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)ccc1-c1ccccc1OC(F)(F)F.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)c[n+]1O)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)c[n+]1O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCN2CCOCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide?
The InChIKey is ZJFIGUATCLXUBM-GVGXRQKYSA-P. The full InChI is InChI=1S/C27H35N3O6.C26H21F3N4O5.C25H22F3N3O6.C22H24F3N3O6.C21H22F3N3O6.C21H22F3N3O5/c31-24(25(32)27(34)30-11-3-4-12-30)26(33)28-19-20-7-9-21(10-8-20)22-5-1-2-6-23(22)36-18-15-29-13-16-35-17-14-29;27-26(28,29)38-21-8-4-3-7-19(21)18-10-9-17(32-20(18)11-30)12-31-24(36)22(34)23(35)25(37)33-13-15-5-1-2-6-16(15)14-33;26-25(27,28)37-20-8-4-3-7-19(20)17-9-10-18(31(36)14-17)11-29-23(34)21(32)22(33)24(35)30-12-15-5-1-2-6-16(15)13-30;1-33-20-15(14-6-2-3-7-16(14)34-22(23,24)25)9-8-13(27-20)12-26-19(31)17(29)18(30)21(32)28-10-4-5-11-28;22-21(23,24)33-16-6-2-1-5-15(16)13-7-8-14(27(32)12-13)11-25-19(30)17(28)18(29)20(31)26-9-3-4-10-26;22-21(23,24)32-16-6-2-1-5-15(16)13-7-8-14(25-11-13)12-26-19(30)17(28)18(29)20(31)27-9-3-4-10-27/h1-2,5-10,24-25,31-32H,3-4,11-19H2,(H,28,33);1-10,22-23,34-35H,12-14H2,(H,31,36);1-10,14,21-22,32-33H,11-13H2,(H-,29,34,36);2-3,6-9,17-18,29-30H,4-5,10-12H2,1H3,(H,26,31);1-2,5-8,12,17-18,28-29H,3-4,9-11H2,(H-,25,30,32);1-2,5-8,11,17-18,28-29H,3-4,9-10,12H2,(H,26,30)/p+2/t24-,25-;22-,23-;21-,22-;3*17-,18-/m111111/s1.
What are the key properties of (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide?
(2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide has a molecular weight of 2949.81 g/mol, XLogP of 9.04, 46 rotatable bonds, 20 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[6-cyano-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-N-[[1-hydroxy-5-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-2-yl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-N-[[4-[2-(2-morpholin-4-ylethoxy)phenyl]phenyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide is sourced from PubChem (CID 159993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).