3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide

C14H13FN2O2 — CID 115645467

IUPAC3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccncc1F
InChIInChI=1S/C14H13FN2O2/c15-13-10-16-7-6-12(13)14(18)17-8-9-19-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyVQKGOKLKXQXGSR-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.03
Rot. Bonds5

About 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide

3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide (PubChem CID 115645467) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
PubChem CID115645467
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccncc1F
InChIInChI=1S/C14H13FN2O2/c15-13-10-16-7-6-12(13)14(18)17-8-9-19-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyVQKGOKLKXQXGSR-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide (CID 115645467) is 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide is O=C(NCCOc1ccccc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
The InChIKey is VQKGOKLKXQXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-13-10-16-7-6-12(13)14(18)17-8-9-19-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide?
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).