2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide

C15H13N3O2S — CID 54150909

IUPAC2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(=O)C1C(=O)Nc1ccccn1
InChIInChI=1S/C15H13N3O2S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)21-18/h2-9,13H,1H3,(H,16,17,20)
InChIKeyOHRCCDHLUQBCGM-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide

2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide (PubChem CID 54150909) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide
PubChem CID54150909
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(=O)C1C(=O)Nc1ccccn1
InChIInChI=1S/C15H13N3O2S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)21-18/h2-9,13H,1H3,(H,16,17,20)
InChIKeyOHRCCDHLUQBCGM-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 6560134
N-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 56611242
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 56628485
N-(6-amino-7H-purin-8-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 57233075
N-[5-(heptylsulfonylmethyl)-1,2-oxazol-3-yl]-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 54205029
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468
4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide
CID 56990367
2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide
CID 12799387
(15R,16S)-16-methyl-N-pyridin-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10903934
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
3-[[2-methyl-3-(pyridin-2-ylcarbamoyl)-1,2-benzothiazin-4-yl]oxy]propyl octyl carbonate
CID 56606901
(3R,4S)-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51971210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide (CID 54150909) is 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide is CN1Sc2ccccc2C(=O)C1C(=O)Nc1ccccn1.
What is the InChIKey of 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide?
The InChIKey is OHRCCDHLUQBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)21-18/h2-9,13H,1H3,(H,16,17,20).
What are the key properties of 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide?
2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54150909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).