N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

C22H27N5O5S — CID 158725499

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H27N5O5S/c1-22(2,14-32-17-5-3-4-16-13-33(29,30)26-20(23)19(16)17)25-21(28)15-6-7-24-18(12-15)27-8-10-31-11-9-27/h3-7,12H,8-11,13-14H2,1-2H3,(H2,23,26)(H,25,28)
InChIKeyQWGZFIZRBHNBPA-UHFFFAOYSA-N
MW473.56 g/mol
LogP1.05
Rot. Bonds6

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 158725499) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 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-morpholin-4-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-morpholin-4-ylpyridine-4-carboxamide
PubChem CID158725499
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H27N5O5S/c1-22(2,14-32-17-5-3-4-16-13-33(29,30)26-20(23)19(16)17)25-21(28)15-6-7-24-18(12-15)27-8-10-31-11-9-27/h3-7,12H,8-11,13-14H2,1-2H3,(H2,23,26)(H,25,28)
InChIKeyQWGZFIZRBHNBPA-UHFFFAOYSA-N
XLogP1.05
TPSA136.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-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]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 158200647
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-2,2-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
2-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-N-methylpyridine-4-carboxamide
CID 159477761
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-oxo-1H-2λ4,1-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 144688388
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-1H-2,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide
CID 144688411
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

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-morpholin-4-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-morpholin-4-ylpyridine-4-carboxamide (CID 158725499) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-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-morpholin-4-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-morpholin-4-ylpyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is QWGZFIZRBHNBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-22(2,14-32-17-5-3-4-16-13-33(29,30)26-20(23)19(16)17)25-21(28)15-6-7-24-18(12-15)27-8-10-31-11-9-27/h3-7,12H,8-11,13-14H2,1-2H3,(H2,23,26)(H,25,28).
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-morpholin-4-ylpyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 158725499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).