2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide

C11H16FN3O3S — CID 63862460

IUPAC2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ccnc(F)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16FN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-5-13-9(12)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyZAUXWERDGUBQOS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.28
Rot. Bonds5

About 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide

2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 63862460) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID63862460
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
SMILESCC(C)(CNC(=O)c1ccnc(F)c1)NS(C)(=O)=O
InChIInChI=1S/C11H16FN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-5-13-9(12)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyZAUXWERDGUBQOS-UHFFFAOYSA-N
XLogP0.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide (CID 63862460) is 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide is CC(C)(CNC(=O)c1ccnc(F)c1)NS(C)(=O)=O.
What is the InChIKey of 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is ZAUXWERDGUBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-11(2,15-19(3,17)18)7-14-10(16)8-4-5-13-9(12)6-8/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide?
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 63862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).