5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

C18H19F2N3O3S — CID 109238164

IUPAC5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2c(F)cccc2F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-6-7-27(25,26)11-14)18(24)12-8-13(10-21-9-12)22-17-15(19)4-3-5-16(17)20/h3-5,8-10,14,22H,2,6-7,11H2,1H3
InChIKeyXZDZWGQFUCIXFD-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.75
Rot. Bonds5

About 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 109238164) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
PubChem CID109238164
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2c(F)cccc2F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-6-7-27(25,26)11-14)18(24)12-8-13(10-21-9-12)22-17-15(19)4-3-5-16(17)20/h3-5,8-10,14,22H,2,6-7,11H2,1H3
InChIKeyXZDZWGQFUCIXFD-UHFFFAOYSA-N
XLogP2.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
3-(2,6-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108989871
N-(2,6-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950205
N-(1,1-dioxothiolan-3-yl)-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109237368
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211275
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-hydroxypyridine-3-carboxamide
CID 63858695
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
2-(2-chloro-6-fluoroanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 99838006
2-(3,4-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-5-carboxamide
CID 109261733

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (CID 109238164) is 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1cncc(Nc2c(F)cccc2F)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is XZDZWGQFUCIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-2-23(14-6-7-27(25,26)11-14)18(24)12-8-13(10-21-9-12)22-17-15(19)4-3-5-16(17)20/h3-5,8-10,14,22H,2,6-7,11H2,1H3.
What are the key properties of 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109238164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).