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

C19H22N4O5S — CID 159585179

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C19H22N4O5S/c1-19(2,22-17(24)13-7-5-9-21-18(13)27-3)11-28-14-8-4-6-12-10-29(25,26)23-16(20)15(12)14/h4-9H,10-11H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyMJNHALJTXCSBJP-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.23
Rot. Bonds6

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

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 159585179) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 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-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide
PubChem CID159585179
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C19H22N4O5S/c1-19(2,22-17(24)13-7-5-9-21-18(13)27-3)11-28-14-8-4-6-12-10-29(25,26)23-16(20)15(12)14/h4-9H,10-11H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyMJNHALJTXCSBJP-UHFFFAOYSA-N
XLogP1.23
TPSA132.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-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-hydroxybenzamide
CID 158337892
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-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-morpholin-4-ylpyridine-4-carboxamide
CID 158725499
5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429353
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-6-methyl-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide;methane
CID 158463399
5-(2-methylidenebutoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429415
5-butoxy-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429548
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 90372512
N-[1-[(2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide
CID 161310913
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 86730125

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-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide (CID 159585179) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-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-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MJNHALJTXCSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-19(2,22-17(24)13-7-5-9-21-18(13)27-3)11-28-14-8-4-6-12-10-29(25,26)23-16(20)15(12)14/h4-9H,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-methoxypyridine-3-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-methoxypyridine-3-carboxamide is sourced from PubChem (CID 159585179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).