3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide

C14H11N3O2S — CID 26592395

IUPAC3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccnc3)cc2N1
InChIInChI=1S/C14H11N3O2S/c18-13-8-20-12-4-3-9(6-11(12)17-13)14(19)16-10-2-1-5-15-7-10/h1-7H,8H2,(H,16,19)(H,17,18)
InChIKeyNBVYOTBAEFBYGV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.38
Rot. Bonds2

About 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 26592395) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
PubChem CID26592395
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3cccnc3)cc2N1
InChIInChI=1S/C14H11N3O2S/c18-13-8-20-12-4-3-9(6-11(12)17-13)14(19)16-10-2-1-5-15-7-10/h1-7H,8H2,(H,16,19)(H,17,18)
InChIKeyNBVYOTBAEFBYGV-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-(2-pyridin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 36866253
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 55344492
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 8004090
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55617249
3-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 55778485
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide (CID 26592395) is 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3cccnc3)cc2N1.
What is the InChIKey of 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is NBVYOTBAEFBYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13-8-20-12-4-3-9(6-11(12)17-13)14(19)16-10-2-1-5-15-7-10/h1-7H,8H2,(H,16,19)(H,17,18).
What are the key properties of 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 26592395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).