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

C11H13FN2O3S — CID 146074745

IUPACN-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O3S/c1-7-4-8(12)5-13-10(7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyJLVYFWVXFAZZNG-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.45
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide (PubChem CID 146074745) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
PubChem CID146074745
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
SMILESCc1cc(F)cnc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O3S/c1-7-4-8(12)5-13-10(7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6H2,1H3,(H,14,15)
InChIKeyJLVYFWVXFAZZNG-UHFFFAOYSA-N
XLogP0.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
CID 91764713
N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544
5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
CID 54917004
N-(1,1-dioxothiolan-3-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691884
N-(1,1-dioxothiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011033
N-(1,1-dioxothiolan-3-yl)-6-fluoro-1-methyl-4-oxocinnoline-3-carboxamide
CID 75769165
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
1-[(3S)-1,1-dioxothian-3-yl]-3-(4-fluoro-2-methylphenyl)urea
CID 95636178
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide (CID 146074745) is N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide is Cc1cc(F)cnc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide?
The InChIKey is JLVYFWVXFAZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-7-4-8(12)5-13-10(7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 146074745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).