3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide

C12H17FN2O2 — CID 103825033

IUPAC3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccncc1F
InChIInChI=1S/C12H17FN2O2/c1-12(2,4-6-16)8-15-11(17)9-3-5-14-7-10(9)13/h3,5,7,16H,4,6,8H2,1-2H3,(H,15,17)
InChIKeyYXTPYFLCZBNISX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds5

About 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide

3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide (PubChem CID 103825033) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
PubChem CID103825033
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccncc1F
InChIInChI=1S/C12H17FN2O2/c1-12(2,4-6-16)8-15-11(17)9-3-5-14-7-10(9)13/h3,5,7,16H,4,6,8H2,1-2H3,(H,15,17)
InChIKeyYXTPYFLCZBNISX-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide (CID 103825033) is 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide is CC(C)(CCO)CNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide?
The InChIKey is YXTPYFLCZBNISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,4-6-16)8-15-11(17)9-3-5-14-7-10(9)13/h3,5,7,16H,4,6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide?
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 103825033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).