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

C11H15FN2O2 — CID 115746110

IUPAC6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C11H15FN2O2/c1-7(2)9(15)6-14-11(16)8-3-4-10(12)13-5-8/h3-5,7,9,15H,6H2,1-2H3,(H,14,16)
InChIKeyHUXMNCAMEKEPHX-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.97
Rot. Bonds4

About 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 115746110) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID115746110
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(O)CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C11H15FN2O2/c1-7(2)9(15)6-14-11(16)8-3-4-10(12)13-5-8/h3-5,7,9,15H,6H2,1-2H3,(H,14,16)
InChIKeyHUXMNCAMEKEPHX-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-[[4-[1-[(6-fluoropyridine-3-carbonyl)amino]ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 154837884

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 115746110) is 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)C(O)CNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is HUXMNCAMEKEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2)9(15)6-14-11(16)8-3-4-10(12)13-5-8/h3-5,7,9,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 115746110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).