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

C14H11N3O3S — CID 103763504

IUPAC2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2N1
InChIInChI=1S/C14H11N3O3S/c18-12-5-8(3-4-15-12)14(20)16-9-1-2-11-10(6-9)17-13(19)7-21-11/h1-6H,7H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyVYPJONNVVICZPI-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.67
Rot. Bonds2

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

2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide (PubChem CID 103763504) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
PubChem CID103763504
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2N1
InChIInChI=1S/C14H11N3O3S/c18-12-5-8(3-4-15-12)14(20)16-9-1-2-11-10(6-9)17-13(19)7-21-11/h1-6H,7H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyVYPJONNVVICZPI-UHFFFAOYSA-N
XLogP1.67
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-pyrrol-1-ylbenzamide
CID 35875201
4-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 31722234
3-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26289464
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide (CID 103763504) is 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide is O=C1CSc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2N1.
What is the InChIKey of 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide?
The InChIKey is VYPJONNVVICZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-12-5-8(3-4-15-12)14(20)16-9-1-2-11-10(6-9)17-13(19)7-21-11/h1-6H,7H2,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide?
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103763504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).