3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide

C11H16FN3O3S — CID 105386606

IUPAC3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)CS(C)(=O)=O)c1F
InChIInChI=1S/C11H16FN3O3S/c1-7(6-19(3,17)18)15-11(16)8-4-5-14-10(13-2)9(8)12/h4-5,7H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBGMPRCKHIWFVHT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.43
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105386606) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105386606
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)CS(C)(=O)=O)c1F
InChIInChI=1S/C11H16FN3O3S/c1-7(6-19(3,17)18)15-11(16)8-4-5-14-10(13-2)9(8)12/h4-5,7H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBGMPRCKHIWFVHT-UHFFFAOYSA-N
XLogP0.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 64643269
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-2-(methylamino)pyridine-4-carboxamide
CID 105386402
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide (CID 105386606) is 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)NC(C)CS(C)(=O)=O)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is BGMPRCKHIWFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-7(6-19(3,17)18)15-11(16)8-4-5-14-10(13-2)9(8)12/h4-5,7H,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105386606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).