3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide

C9H11FN2O2 — CID 64950514

IUPAC3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCCCO)c1ccncc1F
InChIInChI=1S/C9H11FN2O2/c10-8-6-11-4-2-7(8)9(14)12-3-1-5-13/h2,4,6,13H,1,3,5H2,(H,12,14)
InChIKeyKMSDXXKCJLSAJY-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.33
Rot. Bonds4

About 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide

3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 64950514) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
PubChem CID64950514
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCCCO)c1ccncc1F
InChIInChI=1S/C9H11FN2O2/c10-8-6-11-4-2-7(8)9(14)12-3-1-5-13/h2,4,6,13H,1,3,5H2,(H,12,14)
InChIKeyKMSDXXKCJLSAJY-UHFFFAOYSA-N
XLogP0.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.33
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-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (CID 64950514) is 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide is O=C(NCCCO)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is KMSDXXKCJLSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-6-11-4-2-7(8)9(14)12-3-1-5-13/h2,4,6,13H,1,3,5H2,(H,12,14).
What are the key properties of 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 64950514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).