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

C16H15N3O2S — CID 75767849

IUPAC2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)Nc2cccnc2)Sc2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-16(14(20)18-11-6-5-9-17-10-11)15(21)19(2)12-7-3-4-8-13(12)22-16/h3-10H,1-2H3,(H,18,20)
InChIKeyCSYZANMQWIFLDN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.55
Rot. Bonds2

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

2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide (PubChem CID 75767849) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
PubChem CID75767849
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)Nc2cccnc2)Sc2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-16(14(20)18-11-6-5-9-17-10-11)15(21)19(2)12-7-3-4-8-13(12)22-16/h3-10H,1-2H3,(H,18,20)
InChIKeyCSYZANMQWIFLDN-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686333
N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
CID 75769260
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-(1,1-dioxothiolan-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767846
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
CID 71945902
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide (CID 75767849) is 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide is CN1C(=O)C(C)(C(=O)Nc2cccnc2)Sc2ccccc21.
What is the InChIKey of 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide?
The InChIKey is CSYZANMQWIFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-16(14(20)18-11-6-5-9-17-10-11)15(21)19(2)12-7-3-4-8-13(12)22-16/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide?
2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).