4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide

C16H15N3O4S — CID 578698

IUPAC4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCOC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15N3O4S/c1-19-14(16(20)18-13-9-5-6-10-17-13)15(23-2)11-7-3-4-8-12(11)24(19,21)22/h3-10H,1-2H3,(H,17,18,20)
InChIKeyJQZDWMTZAOWOEM-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.67
Rot. Bonds3

About 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide

4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide (PubChem CID 578698) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide
PubChem CID578698
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCOC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15N3O4S/c1-19-14(16(20)18-13-9-5-6-10-17-13)15(23-2)11-7-3-4-8-12(11)24(19,21)22/h3-10H,1-2H3,(H,17,18,20)
InChIKeyJQZDWMTZAOWOEM-UHFFFAOYSA-N
XLogP1.67
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide (CID 578698) is 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide is COC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide?
The InChIKey is JQZDWMTZAOWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19-14(16(20)18-13-9-5-6-10-17-13)15(23-2)11-7-3-4-8-12(11)24(19,21)22/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide?
4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 578698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).