N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C17H17N3O4S — CID 54718936

IUPACN-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCn1cccc/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C17H17N3O4S/c1-3-20-11-7-6-10-14(20)18-17(22)15-16(21)12-8-4-5-9-13(12)25(23,24)19(15)2/h4-11,21H,3H2,1-2H3/b18-14-
InChIKeyFZFZTZWTPOYSFG-JXAWBTAJSA-N
MW359.41 g/mol
LogP1.50
Rot. Bonds2

About N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54718936) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54718936
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCn1cccc/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C17H17N3O4S/c1-3-20-11-7-6-10-14(20)18-17(22)15-16(21)12-8-4-5-9-13(12)25(23,24)19(15)2/h4-11,21H,3H2,1-2H3/b18-14-
InChIKeyFZFZTZWTPOYSFG-JXAWBTAJSA-N
XLogP1.50
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54718936) is N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CCn1cccc/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.
What is the InChIKey of N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is FZFZTZWTPOYSFG-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-20-11-7-6-10-14(20)18-17(22)15-16(21)12-8-4-5-9-13(12)25(23,24)19(15)2/h4-11,21H,3H2,1-2H3/b18-14-.
What are the key properties of N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-pyridinylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54718936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).