2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide

C14H9F3N4O4S — CID 146304082

IUPAC2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide
SMILESCN1C(=O)Nc2ncc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2S1(=O)=O
InChIInChI=1S/C14H9F3N4O4S/c1-21-14(23)20-12-10(26(21,24)25)2-6(5-18-12)13(22)19-7-3-8(15)11(17)9(16)4-7/h2-5H,1H3,(H,19,22)(H,18,20,23)
InChIKeyFVUXWXRWICPMLL-UHFFFAOYSA-N
MW386.31 g/mol
LogP1.92
Rot. Bonds2

About 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide

2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide (PubChem CID 146304082) has the molecular formula C14H9F3N4O4S and a molecular weight of 386.31 g/mol. Its IUPAC name is 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide
PubChem CID146304082
Molecular FormulaC14H9F3N4O4S
Molecular Weight386.31 g/mol
Exact Mass386.03
IUPAC Name2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide
SMILESCN1C(=O)Nc2ncc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2S1(=O)=O
InChIInChI=1S/C14H9F3N4O4S/c1-21-14(23)20-12-10(26(21,24)25)2-6(5-18-12)13(22)19-7-3-8(15)11(17)9(16)4-7/h2-5H,1H3,(H,19,22)(H,18,20,23)
InChIKeyFVUXWXRWICPMLL-UHFFFAOYSA-N
XLogP1.92
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide (CID 146304082) is 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide is CN1C(=O)Nc2ncc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2S1(=O)=O.
What is the InChIKey of 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is FVUXWXRWICPMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O4S/c1-21-14(23)20-12-10(26(21,24)25)2-6(5-18-12)13(22)19-7-3-8(15)11(17)9(16)4-7/h2-5H,1H3,(H,19,22)(H,18,20,23).
What are the key properties of 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide?
2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 386.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 146304082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).