4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C17H16N4O5S — CID 59810393

IUPAC4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C17H16N4O5S/c1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2/h3-9,22H,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyZBRMDMZHBLQZLR-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.94
Rot. Bonds3

About 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 59810393) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID59810393
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C17H16N4O5S/c1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2/h3-9,22H,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyZBRMDMZHBLQZLR-UHFFFAOYSA-N
XLogP0.94
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 59810393) is 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.
What is the InChIKey of 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ZBRMDMZHBLQZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2/h3-9,22H,1-2H3,(H,18,23)(H,19,20,24).
What are the key properties of 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 59810393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).