N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide

C18H19F2N3O3S — CID 109238202

IUPACN-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
SMILESCCN(c1cncc(C(=O)Nc2ccc(F)cc2F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-5-6-27(25,26)11-14)15-7-12(9-21-10-15)18(24)22-17-4-3-13(19)8-16(17)20/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,22,24)
InChIKeyZJGYCPOVQYCQTJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.63
Rot. Bonds5

About N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide

N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide (PubChem CID 109238202) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
PubChem CID109238202
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
SMILESCCN(c1cncc(C(=O)Nc2ccc(F)cc2F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-5-6-27(25,26)11-14)15-7-12(9-21-10-15)18(24)22-17-4-3-13(19)8-16(17)20/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,22,24)
InChIKeyZJGYCPOVQYCQTJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide
CID 109238168
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109215813
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113014143
3-N-(2,4-difluorophenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107640
N-(3,4-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261795
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
N-(1,1-dioxothiolan-3-yl)-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109237368
1-N-(2,4-difluorophenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978102
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160129
N-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide (CID 109238202) is N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide is CCN(c1cncc(C(=O)Nc2ccc(F)cc2F)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
The InChIKey is ZJGYCPOVQYCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-2-23(14-5-6-27(25,26)11-14)15-7-12(9-21-10-15)18(24)22-17-4-3-13(19)8-16(17)20/h3-4,7-10,14H,2,5-6,11H2,1H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109238202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).