5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

C19H20N4O5S — CID 22515232

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccnc3)=C2)cc1OC
InChIInChI=1S/C19H20N4O5S/c1-23-16(19(24)21-12-13-5-4-8-20-11-13)10-15(22-29(23,25)26)14-6-7-17(27-2)18(9-14)28-3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyAYIACKKWDCZBAV-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.28
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide

5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515232) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515232
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccnc3)=C2)cc1OC
InChIInChI=1S/C19H20N4O5S/c1-23-16(19(24)21-12-13-5-4-8-20-11-13)10-15(22-29(23,25)26)14-6-7-17(27-2)18(9-14)28-3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyAYIACKKWDCZBAV-UHFFFAOYSA-N
XLogP1.28
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 46271562
5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253725
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807721
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175472
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515239
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
5-(3,4-dimethoxyphenyl)-2-ethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylic acid
CID 159261165
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 22515232) is 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3cccnc3)=C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is AYIACKKWDCZBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-23-16(19(24)21-12-13-5-4-8-20-11-13)10-15(22-29(23,25)26)14-6-7-17(27-2)18(9-14)28-3/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).