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

C17H15FN4O3S — CID 46271562

IUPAC5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCc2cccnc2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H15FN4O3S/c1-22-16(17(23)20-11-12-3-2-8-19-10-12)9-15(21-26(22,24)25)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyQTNAYMPKGAHDBN-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.40
Rot. Bonds4

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

5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 46271562) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID46271562
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCc2cccnc2)=CC(c2ccc(F)cc2)=NS1(=O)=O
InChIInChI=1S/C17H15FN4O3S/c1-22-16(17(23)20-11-12-3-2-8-19-10-12)9-15(21-26(22,24)25)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyQTNAYMPKGAHDBN-UHFFFAOYSA-N
XLogP1.40
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide with MolForge

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Related Compounds

5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515216
5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide (CID 46271562) is 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NCc2cccnc2)=CC(c2ccc(F)cc2)=NS1(=O)=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is QTNAYMPKGAHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-22-16(17(23)20-11-12-3-2-8-19-10-12)9-15(21-26(22,24)25)13-4-6-14(18)7-5-13/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 46271562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).