2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide

C13H19FN2O2 — CID 113237946

IUPAC2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-13(2,3)7-10(17)8-16-12(18)9-4-5-15-11(14)6-9/h4-6,10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyAICDYBJGQVWTTO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds4

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

2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide (PubChem CID 113237946) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
PubChem CID113237946
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-13(2,3)7-10(17)8-16-12(18)9-4-5-15-11(14)6-9/h4-6,10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyAICDYBJGQVWTTO-UHFFFAOYSA-N
XLogP1.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
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-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 107150564
2-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 61293980
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
CID 113237911
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide (CID 113237946) is 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide is CC(C)(C)CC(O)CNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
The InChIKey is AICDYBJGQVWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(2,3)7-10(17)8-16-12(18)9-4-5-15-11(14)6-9/h4-6,10,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide?
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide has a molecular weight of 254.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 113237946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).