N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide

C88H89N23O16S4 — CID 157267444

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ncccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cccc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nnc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cnccn1
InChIInChI=1S/C25H24N6O4S.C24H23N7O4S.C22H23N5O4S.C17H19N5O4S/c1-25(2,15-35-20-7-3-5-17-14-36(33,34)30-23(26)22(17)20)29-24(32)16-8-11-28-21(13-16)31-12-9-18-19(31)6-4-10-27-18;1-24(2,14-35-19-9-5-6-16-13-36(33,34)29-22(25)21(16)19)27-23(32)15-10-11-26-20(12-15)31-18-8-4-3-7-17(18)28-30-31;1-22(2,25-21(28)15-8-9-24-18(12-15)27-10-3-4-11-27)14-31-17-7-5-6-16-13-32(29,30)26-20(23)19(16)17;1-17(2,21-16(23)12-8-19-6-7-20-12)10-26-13-5-3-4-11-9-27(24,25)22-15(18)14(11)13/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,29,32);3-12H,13-14H2,1-2H3,(H2,25,29)(H,27,32);3-12H,13-14H2,1-2H3,(H2,23,26)(H,25,28);3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23)
InChIKeyAYDUTUMEBDXKCX-UHFFFAOYSA-N
MW1853.09 g/mol
LogP7.13
Rot. Bonds23

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide (PubChem CID 157267444) has the molecular formula C88H89N23O16S4 and a molecular weight of 1853.09 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-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
PubChem CID157267444
Molecular FormulaC88H89N23O16S4
Molecular Weight1853.09 g/mol
Exact Mass1851.57
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ncccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cccc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nnc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cnccn1
InChIInChI=1S/C25H24N6O4S.C24H23N7O4S.C22H23N5O4S.C17H19N5O4S/c1-25(2,15-35-20-7-3-5-17-14-36(33,34)30-23(26)22(17)20)29-24(32)16-8-11-28-21(13-16)31-12-9-18-19(31)6-4-10-27-18;1-24(2,14-35-19-9-5-6-16-13-36(33,34)29-22(25)21(16)19)27-23(32)15-10-11-26-20(12-15)31-18-8-4-3-7-17(18)28-30-31;1-22(2,25-21(28)15-8-9-24-18(12-15)27-10-3-4-11-27)14-31-17-7-5-6-16-13-32(29,30)26-20(23)19(16)17;1-17(2,21-16(23)12-8-19-6-7-20-12)10-26-13-5-3-4-11-9-27(24,25)22-15(18)14(11)13/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,29,32);3-12H,13-14H2,1-2H3,(H2,25,29)(H,27,32);3-12H,13-14H2,1-2H3,(H2,23,26)(H,25,28);3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23)
InChIKeyAYDUTUMEBDXKCX-UHFFFAOYSA-N
XLogP7.13
TPSA561.31 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001853.09
LogP ≤ 57.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazo[4,5-b]pyridin-1-ylpyridine-4-carboxamide
CID 158080133
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 158725499
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 147276301
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-hydroxybenzamide
CID 158337892
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide
CID 159585179
N-[1-[(4-amino-2-methylidene-2-oxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide
CID 123990774
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 85468883
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]-3-(methylamino)benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopentyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 159676105
N-[1-[(4-amino-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide
CID 144688403
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-propan-2-ylimidazol-1-yl)pyridine-4-carboxamide
CID 85468756
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,5-dimethylpyrrol-1-yl)pyridine-4-carboxamide
CID 174193424
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-di(imidazol-1-yl)pyridine-4-carboxamide
CID 90372560

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-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide (CID 157267444) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-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-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ncccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cccc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nnc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1cnccn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?
The InChIKey is AYDUTUMEBDXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S.C24H23N7O4S.C22H23N5O4S.C17H19N5O4S/c1-25(2,15-35-20-7-3-5-17-14-36(33,34)30-23(26)22(17)20)29-24(32)16-8-11-28-21(13-16)31-12-9-18-19(31)6-4-10-27-18;1-24(2,14-35-19-9-5-6-16-13-36(33,34)29-22(25)21(16)19)27-23(32)15-10-11-26-20(12-15)31-18-8-4-3-7-17(18)28-30-31;1-22(2,25-21(28)15-8-9-24-18(12-15)27-10-3-4-11-27)14-31-17-7-5-6-16-13-32(29,30)26-20(23)19(16)17;1-17(2,21-16(23)12-8-19-6-7-20-12)10-26-13-5-3-4-11-9-27(24,25)22-15(18)14(11)13/h3-13H,14-15H2,1-2H3,(H2,26,30)(H,29,32);3-12H,13-14H2,1-2H3,(H2,25,29)(H,27,32);3-12H,13-14H2,1-2H3,(H2,23,26)(H,25,28);3-8H,9-10H2,1-2H3,(H2,18,22)(H,21,23).
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-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide has a molecular weight of 1853.09 g/mol, XLogP of 7.13, 23 rotatable bonds, 8 hydrogen bond donors, and 31 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-(benzotriazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolo[3,2-b]pyridin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 157267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).