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

C16H15N3O2S — CID 17488093

IUPAC2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C16H15N3O2S/c1-9-4-3-7-17-14(9)19-16(21)11-5-6-13-12(8-11)18-15(20)10(2)22-13/h3-8,10H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySEPGMNQYUDTEOD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.08
Rot. Bonds2

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

2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 17488093) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID17488093
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C16H15N3O2S/c1-9-4-3-7-17-14(9)19-16(21)11-5-6-13-12(8-11)18-15(20)10(2)22-13/h3-8,10H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySEPGMNQYUDTEOD-UHFFFAOYSA-N
XLogP3.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-{[4-(Hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
CID 134611695
N-Isopropyl-1-[3-(4-methylthiophenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274246
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
2-methyl-3-oxo-N-(pyridin-2-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16286851
2-methyl-N-(4-methylpyridin-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18106863
4-(ethylthio)-N-(6-methyl-2-pyridinyl)-3-nitrobenzamide
CID 802403
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide
CID 10831510
2-[[2-[acetyl(methyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11316116
N-(3,5-dimethylphenyl)-2-[[2-(propanoylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11339172
N'-ethyl-4-(pyrido[3,2-b][1,4]benzothiazin-10-ylmethyl)benzohydrazide
CID 168149872
N-(4-methyl-2-pyridinyl)-4-(phenylsulfonyl)benzamide
CID 1310235
N-(6-benzamidopyridin-3-yl)thiophene-2-carboxamide
CID 1449342

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 17488093) is 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1cccnc1NC(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is SEPGMNQYUDTEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-4-3-7-17-14(9)19-16(21)11-5-6-13-12(8-11)18-15(20)10(2)22-13/h3-8,10H,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 17488093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).