N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C11H15FN2O2 — CID 118210842

IUPACN-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cccnc1
InChIInChI=1S/C11H15FN2O2/c1-11(2,16)9(12)7-14-10(15)8-4-3-5-13-6-8/h3-6,9,16H,7H2,1-2H3,(H,14,15)
InChIKeyRSMVYWKSWPOYEL-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.92
Rot. Bonds4

About N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118210842) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID118210842
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cccnc1
InChIInChI=1S/C11H15FN2O2/c1-11(2,16)9(12)7-14-10(15)8-4-3-5-13-6-8/h3-6,9,16H,7H2,1-2H3,(H,14,15)
InChIKeyRSMVYWKSWPOYEL-UHFFFAOYSA-N
XLogP0.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 118210842) is N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cccnc1.
What is the InChIKey of N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is RSMVYWKSWPOYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,16)9(12)7-14-10(15)8-4-3-5-13-6-8/h3-6,9,16H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118210842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).