4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide

C19H15N3O4S — CID 54695938

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccc3ccccc3c2S1(=O)=O
InChIInChI=1S/C19H15N3O4S/c1-22-16(19(24)21-15-8-4-5-11-20-15)17(23)14-10-9-12-6-2-3-7-13(12)18(14)27(22,25)26/h2-11,23H,1H3,(H,20,21,24)
InChIKeyLBTLWAUCZKENCZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.73
Rot. Bonds2

About 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide (PubChem CID 54695938) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide
PubChem CID54695938
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2ccc3ccccc3c2S1(=O)=O
InChIInChI=1S/C19H15N3O4S/c1-22-16(19(24)21-15-8-4-5-11-20-15)17(23)14-10-9-12-6-2-3-7-13(12)18(14)27(22,25)26/h2-11,23H,1H3,(H,20,21,24)
InChIKeyLBTLWAUCZKENCZ-UHFFFAOYSA-N
XLogP2.73
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide (CID 54695938) is 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide is CN1C(C(=O)Nc2ccccn2)=C(O)c2ccc3ccccc3c2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide?
The InChIKey is LBTLWAUCZKENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-22-16(19(24)21-15-8-4-5-11-20-15)17(23)14-10-9-12-6-2-3-7-13(12)18(14)27(22,25)26/h2-11,23H,1H3,(H,20,21,24).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.73, 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-1,1-dioxo-N-pyridin-2-ylbenzo[h][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 54695938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).