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

C16H15N3O2S — CID 18106863

IUPAC2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C16H15N3O2S/c1-9-5-6-17-14(7-9)19-16(21)11-3-4-13-12(8-11)18-15(20)10(2)22-13/h3-8,10H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyRLSHSFFRXWTKLH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.08
Rot. Bonds2

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

2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 18106863) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID18106863
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C16H15N3O2S/c1-9-5-6-17-14(7-9)19-16(21)11-3-4-13-12(8-11)18-15(20)10(2)22-13/h3-8,10H,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyRLSHSFFRXWTKLH-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 18106863) is 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1.
What is the InChIKey of 2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is RLSHSFFRXWTKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-5-6-17-14(7-9)19-16(21)11-3-4-13-12(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-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-N-(4-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-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 18106863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).