N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide

C126H138N28O24S6 — CID 159929915

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide (PubChem CID 159929915) has the molecular formula C126H138N28O24S6 and a molecular weight of 2621.06 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide
• PubChem CID: 159929915
• Molecular Formula: C126H138N28O24S6
• Molecular Weight: 2621.06 g/mol
• Exact Mass: 2618.88
• IUPAC Name: N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide
• SMILES: CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccccn1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc3ccccc32)c1.CCC(CC)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccccc1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1nccn1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
• InChI: InChI=1S/C25H24N6O4S.C22H24N6O4S.C21H25N5O4S.C21H25N3O4S.C19H20N4O4S.C18H20N4O4S/c1-25(2,14-35-20-9-5-6-17-13-36(33,34)30-23(26)22(17)20)29-24(32)16-10-11-27-21(12-16)31-15-28-18-7-3-4-8-19(18)31;1-14-24-9-10-28(14)18-11-15(7-8-25-18)21(29)26-22(2,3)13-32-17-6-4-5-16-12-33(30,31)27-20(23)19(16)17;1-26(2)17-11-14(7-10-23-17)20(27)24-21(8-4-9-21)13-30-16-6-3-5-15-12-31(28,29)25-19(22)18(15)16;1-3-21(4-2,23-20(25)15-9-6-5-7-10-15)14-28-17-12-8-11-16-13-29(26,27)24-19(22)18(16)17;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;1-18(2,21-17(23)13-7-3-4-9-20-13)11-26-14-8-5-6-12-10-27(24,25)22-16(19)15(12)14/h3-12,15H,13-14H2,1-2H3,(H2,26,30)(H,29,32);4-11H,12-13H2,1-3H3,(H2,23,27)(H,26,29);3,5-7,10-11H,4,8-9,12-13H2,1-2H3,(H2,22,25)(H,24,27);5-12H,3-4,13-14H2,1-2H3,(H2,22,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);3-9H,10-11H2,1-2H3,(H2,19,22)(H,21,23)
• InChIKey: NZMUSWSHSSPSDS-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 768.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.06
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide (CID 159929915) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccccn1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc3ccccc32)c1.CCC(CC)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccccc1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1nccn1-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.

What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide?

The InChIKey is NZMUSWSHSSPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S.C22H24N6O4S.C21H25N5O4S.C21H25N3O4S.C19H20N4O4S.C18H20N4O4S/c1-25(2,14-35-20-9-5-6-17-13-36(33,34)30-23(26)22(17)20)29-24(32)16-10-11-27-21(12-16)31-15-28-18-7-3-4-8-19(18)31;1-14-24-9-10-28(14)18-11-15(7-8-25-18)21(29)26-22(2,3)13-32-17-6-4-5-16-12-33(30,31)27-20(23)19(16)17;1-26(2)17-11-14(7-10-23-17)20(27)24-21(8-4-9-21)13-30-16-6-3-5-15-12-31(28,29)25-19(22)18(15)16;1-3-21(4-2,23-20(25)15-9-6-5-7-10-15)14-28-17-12-8-11-16-13-29(26,27)24-19(22)18(16)17;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;1-18(2,21-17(23)13-7-3-4-9-20-13)11-26-14-8-5-6-12-10-27(24,25)22-16(19)15(12)14/h3-12,15H,13-14H2,1-2H3,(H2,26,30)(H,29,32);4-11H,12-13H2,1-3H3,(H2,23,27)(H,26,29);3,5-7,10-11H,4,8-9,12-13H2,1-2H3,(H2,22,25)(H,24,27);5-12H,3-4,13-14H2,1-2H3,(H2,22,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);3-9H,10-11H2,1-2H3,(H2,19,22)(H,21,23).

What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide?

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide has a molecular weight of 2621.06 g/mol, XLogP of 10.80, 35 rotatable bonds, 12 hydrogen bond donors, and 40 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)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pentan-3-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159929915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).