4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C16H15N3O4S — CID 54697125

IUPAC4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C16H15N3O4S/c1-10-6-5-9-13(17-10)18-16(21)14-15(20)11-7-3-4-8-12(11)24(22,23)19(14)2/h3-9,20H,1-2H3,(H,17,18,21)
InChIKeyNIGKHKLDZOHYMT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.89
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54697125) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54697125
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C16H15N3O4S/c1-10-6-5-9-13(17-10)18-16(21)14-15(20)11-7-3-4-8-12(11)24(22,23)19(14)2/h3-9,20H,1-2H3,(H,17,18,21)
InChIKeyNIGKHKLDZOHYMT-UHFFFAOYSA-N
XLogP1.89
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Piroxicam
CID 54676228
5'-Hydroxypiroxicam
CID 54676301
Piroxicam Cinnamate
CID 6436090
Piroxicam monohydrate
CID 54705052
O-Methyl Piroxicam
CID 578698
2-butyl-4-hydroxy-N-(pyrimidin-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
CID 54695993
4-Isopropoxy-2-methyl-N-(2-pyridinyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide
CID 21595355
Desmethyl piroxicam
CID 54719424
4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-naphtho[2,1-e]-1,2-thiazine-3-carboxamide-1,1-dioxide
CID 54695938
4-hydroxy-2-methyl-N-(1-methylpyridin-1-ium-2-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide iodide
CID 54715405
2H-Pyrido(3,2-e)(1,2)thiazine-3-carboxamide, 4-hydroxy-N-(2-pyridinyl)-2,5,7-trimethyl-, 1,1-dioxide
CID 54708902
Piroxicam Olamine
CID 54687412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54697125) is 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is NIGKHKLDZOHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-6-5-9-13(17-10)18-16(21)14-15(20)11-7-3-4-8-12(11)24(22,23)19(14)2/h3-9,20H,1-2H3,(H,17,18,21).
What are the key properties of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54697125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).