magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide

C15H17MgN3O4S — CID 174276013

IUPACmagnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H15N3O4S.Mg.2H/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;;;/h2-9,19,21-22H,1H3,(H,16,17,20);;;/q;+2;2*-1
InChIKeyFVAYMQINNMSPLG-UHFFFAOYSA-N
MW359.69 g/mol
LogP2.76
Rot. Bonds2

About magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide

magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide (PubChem CID 174276013) has the molecular formula C15H17MgN3O4S and a molecular weight of 359.69 g/mol. Its IUPAC name is magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Namemagnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
PubChem CID174276013
Molecular FormulaC15H17MgN3O4S
Molecular Weight359.69 g/mol
Exact Mass359.08
IUPAC Namemagnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C15H15N3O4S.Mg.2H/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;;;/h2-9,19,21-22H,1H3,(H,16,17,20);;;/q;+2;2*-1
InChIKeyFVAYMQINNMSPLG-UHFFFAOYSA-N
XLogP2.76
TPSA105.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.69
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
1,1,4-trihydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1λ4,2-benzothiazine-3-carboxamide
CID 87925359
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
CID 54725726
4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54719424
6-bromo-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 54717105
N-(6-chloro-2-pyridinyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54720115
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] methanesulfonate
CID 12802650
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-e]thiazine-3-carboxamide
CID 54677412
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 69171373
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
CID 68842792

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide?
The IUPAC name of magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide (CID 174276013) is magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide.
What is the SMILES notation for magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide?
The canonical SMILES for magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide?
The InChIKey is FVAYMQINNMSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S.Mg.2H/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;;;/h2-9,19,21-22H,1H3,(H,16,17,20);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide?
magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide has a molecular weight of 359.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 174276013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).