6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid

C16H13N3O6S — CID 59810382

IUPAC6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H13N3O6S/c1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23/h2-8,20H,1H3,(H,22,23)(H,17,18,21)
InChIKeyGYANLBWLQAUSRM-UHFFFAOYSA-N
MW375.36 g/mol
LogP1.28
Rot. Bonds3

About 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid

6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 59810382) has the molecular formula C16H13N3O6S and a molecular weight of 375.36 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID59810382
Molecular FormulaC16H13N3O6S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC Name6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H13N3O6S/c1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23/h2-8,20H,1H3,(H,22,23)(H,17,18,21)
InChIKeyGYANLBWLQAUSRM-UHFFFAOYSA-N
XLogP1.28
TPSA136.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 59810382) is 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid is CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GYANLBWLQAUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6S/c1-19-13(14(20)10-4-2-3-5-11(10)26(19,24)25)15(21)18-12-7-6-9(8-17-12)16(22)23/h2-8,20H,1H3,(H,22,23)(H,17,18,21).
What are the key properties of 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 375.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 59810382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).