N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C15H13N3O2S — CID 8004090

IUPACN-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc1
InChIInChI=1S/C15H13N3O2S/c1-9-2-5-13(16-7-9)18-15(20)10-3-4-12-11(6-10)17-14(19)8-21-12/h2-7H,8H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyFYZKBNJVKYDZMS-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.69
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 8004090) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID8004090
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc1
InChIInChI=1S/C15H13N3O2S/c1-9-2-5-13(16-7-9)18-15(20)10-3-4-12-11(6-10)17-14(19)8-21-12/h2-7H,8H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyFYZKBNJVKYDZMS-UHFFFAOYSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.69
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-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 60551671
N-(4-fluoro-2-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 40616547
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-(5-methyl-2-pyridinyl)-3-[(3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126458855
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 91648475
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239019
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
N-(2,5-dimethoxyphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46798733

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 8004090) is N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is FYZKBNJVKYDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-2-5-13(16-7-9)18-15(20)10-3-4-12-11(6-10)17-14(19)8-21-12/h2-7H,8H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 8004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).