2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide

C11H15FN2O2 — CID 115870175

IUPAC2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-11(2,4-6-15)14-10(16)8-3-5-13-9(12)7-8/h3,5,7,15H,4,6H2,1-2H3,(H,14,16)
InChIKeyVSMQUGICXGDSOH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.11
Rot. Bonds4

About 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide

2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 115870175) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
PubChem CID115870175
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-11(2,4-6-15)14-10(16)8-3-5-13-9(12)7-8/h3,5,7,15H,4,6H2,1-2H3,(H,14,16)
InChIKeyVSMQUGICXGDSOH-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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

2-(dimethylamino)-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115869951
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide (CID 115870175) is 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide is CC(C)(CCO)NC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is VSMQUGICXGDSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,4-6-15)14-10(16)8-3-5-13-9(12)7-8/h3,5,7,15H,4,6H2,1-2H3,(H,14,16).
What are the key properties of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide?
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).