3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide

C11H15FN2O2 — CID 107317148

IUPAC3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
SMILESO=C(NCCCCCO)c1ccncc1F
InChIInChI=1S/C11H15FN2O2/c12-10-8-13-6-4-9(10)11(16)14-5-2-1-3-7-15/h4,6,8,15H,1-3,5,7H2,(H,14,16)
InChIKeyITIKBSQUPLVDGO-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.11
Rot. Bonds6

About 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide

3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide (PubChem CID 107317148) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
PubChem CID107317148
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
SMILESO=C(NCCCCCO)c1ccncc1F
InChIInChI=1S/C11H15FN2O2/c12-10-8-13-6-4-9(10)11(16)14-5-2-1-3-7-15/h4,6,8,15H,1-3,5,7H2,(H,14,16)
InChIKeyITIKBSQUPLVDGO-UHFFFAOYSA-N
XLogP1.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide (CID 107317148) is 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide is O=C(NCCCCCO)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide?
The InChIKey is ITIKBSQUPLVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-10-8-13-6-4-9(10)11(16)14-5-2-1-3-7-15/h4,6,8,15H,1-3,5,7H2,(H,14,16).
What are the key properties of 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide?
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide is sourced from PubChem (CID 107317148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).