4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide

C16H16N4O4S — CID 54708902

IUPAC4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide
SMILESCc1cc(C)c2c(n1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O
InChIInChI=1S/C16H16N4O4S/c1-9-8-10(2)18-16-12(9)14(21)13(20(3)25(16,23)24)15(22)19-11-6-4-5-7-17-11/h4-8,21H,1-3H3,(H,17,19,22)
InChIKeyBGFRPBRBKMFHNS-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.59
Rot. Bonds2

About 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide

4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide (PubChem CID 54708902) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide
PubChem CID54708902
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide
SMILESCc1cc(C)c2c(n1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O
InChIInChI=1S/C16H16N4O4S/c1-9-8-10(2)18-16-12(9)14(21)13(20(3)25(16,23)24)15(22)19-11-6-4-5-7-17-11/h4-8,21H,1-3H3,(H,17,19,22)
InChIKeyBGFRPBRBKMFHNS-UHFFFAOYSA-N
XLogP1.59
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide (CID 54708902) is 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide is Cc1cc(C)c2c(n1)S(=O)(=O)N(C)C(C(=O)Nc1ccccn1)=C2O.
What is the InChIKey of 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide?
The InChIKey is BGFRPBRBKMFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-9-8-10(2)18-16-12(9)14(21)13(20(3)25(16,23)24)15(22)19-11-6-4-5-7-17-11/h4-8,21H,1-3H3,(H,17,19,22).
What are the key properties of 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide?
4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide is sourced from PubChem (CID 54708902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).