N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide

C17H15N3O3S — CID 59750369

IUPACN-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C17H15N3O3S/c1-23-10-9-18-16(22)12-6-4-7-13(19-12)17-20-15(21)11-5-2-3-8-14(11)24-17/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyVLYIGCVDYGYVAR-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.09
Rot. Bonds5

About N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide

N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (PubChem CID 59750369) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
PubChem CID59750369
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C17H15N3O3S/c1-23-10-9-18-16(22)12-6-4-7-13(19-12)17-20-15(21)11-5-2-3-8-14(11)24-17/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyVLYIGCVDYGYVAR-UHFFFAOYSA-N
XLogP2.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (CID 59750369) is N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is COCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The InChIKey is VLYIGCVDYGYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-10-9-18-16(22)12-6-4-7-13(19-12)17-20-15(21)11-5-2-3-8-14(11)24-17/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 59750369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).