2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide

C11H14F2N2O2S — CID 105381610

IUPAC2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccnc(F)c1F)S(C)=O
InChIInChI=1S/C11H14F2N2O2S/c1-7(18(2)17)3-5-15-11(16)8-4-6-14-10(13)9(8)12/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyVCJYAZKBFDOZJI-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.25
Rot. Bonds5

About 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide

2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide (PubChem CID 105381610) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
PubChem CID105381610
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccnc(F)c1F)S(C)=O
InChIInChI=1S/C11H14F2N2O2S/c1-7(18(2)17)3-5-15-11(16)8-4-6-14-10(13)9(8)12/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyVCJYAZKBFDOZJI-UHFFFAOYSA-N
XLogP1.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-(3-methylsulfinylbutyl)benzamide
CID 113262853
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
CID 115869248
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
CID 115729500
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide (CID 105381610) is 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide is CC(CCNC(=O)c1ccnc(F)c1F)S(C)=O.
What is the InChIKey of 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide?
The InChIKey is VCJYAZKBFDOZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-7(18(2)17)3-5-15-11(16)8-4-6-14-10(13)9(8)12/h4,6-7H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).