About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide (PubChem CID 157475823) has the molecular formula C129H143N23O25S6
and a molecular weight of 2608.10 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide (CID 157475823) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cccc2ccccc12.CC1=NCc2nc(C3CC3)cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)c21.COc1ccccc1C(=O)NC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2.Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ccc2nc(C)cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)c2c1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide?
The InChIKey is BVOSIKCVKYTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S.C24H26N4O4S.C23H23N3O4S.C20H23N3O5S.2C19H22N4O4S/c1-13-20-16(9-17(14-7-8-14)27-18(20)10-26-13)23(30)28-24(2,3)12-33-19-6-4-5-15-11-34(31,32)29-22(25)21(15)19;1-14-8-9-19-17(10-14)18(11-15(2)26-19)23(29)27-24(3,4)13-32-20-7-5-6-16-12-33(30,31)28-22(25)21(16)20;1-23(2,25-22(27)18-11-5-8-15-7-3-4-10-17(15)18)14-30-19-12-6-9-16-13-31(28,29)26-21(24)20(16)19;1-20(2,22-19(24)14-8-4-5-9-15(14)27-3)12-28-16-10-6-7-13-11-29(25,26)23-18(21)17(13)16;2*1-12-9-13(7-8-21-12)18(24)22-19(2,3)11-27-15-6-4-5-14-10-28(25,26)23-17(20)16(14)15/h4-6,9,14H,7-8,10-12H2,1-3H3,(H2,25,29)(H,28,30);5-11H,12-13H2,1-4H3,(H2,25,28)(H,27,29);3-12H,13-14H2,1-2H3,(H2,24,26)(H,25,27);4-10H,11-12H2,1-3H3,(H2,21,23)(H,22,24);2*4-9H,10-11H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide has a molecular weight of 2608.10 g/mol, XLogP of 13.26, 32 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclopropyl-5-methyl-7H-pyrrolo[3,4-b]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxybenzamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 157475823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).