2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

C11H16FN3O2S — CID 105387484

IUPAC2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H16FN3O2S/c1-7(4-6-18(2)17)15-11(16)8-3-5-14-10(13)9(8)12/h3,5,7H,4,6H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQGBMXJRDEZCUBS-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.69
Rot. Bonds5

About 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 105387484) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
PubChem CID105387484
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C11H16FN3O2S/c1-7(4-6-18(2)17)15-11(16)8-3-5-14-10(13)9(8)12/h3,5,7H,4,6H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQGBMXJRDEZCUBS-UHFFFAOYSA-N
XLogP0.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
3-amino-2,5-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 107121447
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide (CID 105387484) is 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is CC(CCS(C)=O)NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is QGBMXJRDEZCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-7(4-6-18(2)17)15-11(16)8-3-5-14-10(13)9(8)12/h3,5,7H,4,6H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105387484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).