5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide

C17H19FN2O2 — CID 58833168

IUPAC5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-11(2)16(10-21)20-17(22)14-7-13(8-19-9-14)12-3-5-15(18)6-4-12/h3-9,11,16,21H,10H2,1-2H3,(H,20,22)
InChIKeyOXRGZCXACZCMBF-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.63
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide

5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 58833168) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID58833168
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-11(2)16(10-21)20-17(22)14-7-13(8-19-9-14)12-3-5-15(18)6-4-12/h3-9,11,16,21H,10H2,1-2H3,(H,20,22)
InChIKeyOXRGZCXACZCMBF-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 125441906
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
5-(2-chloro-3,4,5-trimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833148
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide (CID 58833168) is 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)C(CO)NC(=O)c1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is OXRGZCXACZCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11(2)16(10-21)20-17(22)14-7-13(8-19-9-14)12-3-5-15(18)6-4-12/h3-9,11,16,21H,10H2,1-2H3,(H,20,22).
What are the key properties of 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide?
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58833168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).