N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide

C17H18FN3O3S — CID 109193246

IUPACN-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2F)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18FN3O3S/c1-21(13-8-9-25(23,24)11-13)17(22)16-7-6-12(10-19-16)20-15-5-3-2-4-14(15)18/h2-7,10,13,20H,8-9,11H2,1H3
InChIKeyBKCLRQNIZPHEOS-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.22
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109193246) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
PubChem CID109193246
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Nc2ccccc2F)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18FN3O3S/c1-21(13-8-9-25(23,24)11-13)17(22)16-7-6-12(10-19-16)20-15-5-3-2-4-14(15)18/h2-7,10,13,20H,8-9,11H2,1H3
InChIKeyBKCLRQNIZPHEOS-UHFFFAOYSA-N
XLogP2.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(1,1-dioxothiolan-3-yl)-2-(2-fluoroanilino)-N-methylpyridine-4-carboxamide
CID 109173425
5-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109190084
5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109193990
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109189235
4-(3-chloro-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109215038
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpyrimidine-4-carboxamide
CID 109372579

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide (CID 109193246) is N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(Nc2ccccc2F)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is BKCLRQNIZPHEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-21(13-8-9-25(23,24)11-13)17(22)16-7-6-12(10-19-16)20-15-5-3-2-4-14(15)18/h2-7,10,13,20H,8-9,11H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).