2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H19N3O3S — CID 8777075

IUPAC2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCc1cc(C)c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-9-12(2)15(13(3)10-11)18-17(21)14-5-4-6-20-7-8-24(22,23)19-16(14)20/h4-6,9-10H,7-8H2,1-3H3,(H,18,21)
InChIKeyNRCBSPQVBLHBEH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.05
Rot. Bonds2

About 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777075) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777075
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCc1cc(C)c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-9-12(2)15(13(3)10-11)18-17(21)14-5-4-6-20-7-8-24(22,23)19-16(14)20/h4-6,9-10H,7-8H2,1-3H3,(H,18,21)
InChIKeyNRCBSPQVBLHBEH-UHFFFAOYSA-N
XLogP2.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9115367
2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55611894
N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 120600127
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55382906
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
CID 110858219
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 55405268
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777075) is 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is Cc1cc(C)c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C)c1.
What is the InChIKey of 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is NRCBSPQVBLHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-12(2)15(13(3)10-11)18-17(21)14-5-4-6-20-7-8-24(22,23)19-16(14)20/h4-6,9-10H,7-8H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).