5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

C11H15FN2O2S — CID 75514374

IUPAC5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSCC(CCO)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-17-7-10(2-3-15)14-11(16)8-4-9(12)6-13-5-8/h4-6,10,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyDDPYDLPSIXUBQU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds6

About 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 75514374) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
PubChem CID75514374
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSCC(CCO)NC(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O2S/c1-17-7-10(2-3-15)14-11(16)8-4-9(12)6-13-5-8/h4-6,10,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyDDPYDLPSIXUBQU-UHFFFAOYSA-N
XLogP1.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851
2,3,5,6-tetrafluoro-N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]benzamide
CID 97328543
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
2-[(5-fluoropyridine-3-carbonyl)amino]pent-4-enoic acid
CID 104785698
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624788
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624790
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (CID 75514374) is 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is CSCC(CCO)NC(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is DDPYDLPSIXUBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-17-7-10(2-3-15)14-11(16)8-4-9(12)6-13-5-8/h4-6,10,15H,2-3,7H2,1H3,(H,14,16).
What are the key properties of 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75514374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).