4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

C16H15N3O4S — CID 54694214

IUPAC4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O
InChIInChI=1S/C16H15N3O4S/c1-10-6-7-11-12(9-10)24(22,23)19(2)14(15(11)20)16(21)18-13-5-3-4-8-17-13/h3-9,20H,1-2H3,(H,17,18,21)
InChIKeyGVFJJQMEGYKTRP-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.89
Rot. Bonds2

About 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54694214) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54694214
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O
InChIInChI=1S/C16H15N3O4S/c1-10-6-7-11-12(9-10)24(22,23)19(2)14(15(11)20)16(21)18-13-5-3-4-8-17-13/h3-9,20H,1-2H3,(H,17,18,21)
InChIKeyGVFJJQMEGYKTRP-UHFFFAOYSA-N
XLogP1.89
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 54676228
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CID 2176
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CID 54676301
CID 54676301
CID 6436090
CID 6436090
CID 54705052
CID 54705052
CID 54695987
CID 54695987
CID 578698
CID 578698
CID 135500123
CID 135500123
CID 136123409
CID 136123409
CID 54695993
CID 54695993
CID 21595355
CID 21595355

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide (CID 54694214) is 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O.
What is the InChIKey of 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is GVFJJQMEGYKTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-6-7-11-12(9-10)24(22,23)19(2)14(15(11)20)16(21)18-13-5-3-4-8-17-13/h3-9,20H,1-2H3,(H,17,18,21).
What are the key properties of 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,7-dimethyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54694214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).