3-fluoro-N-phenacylpyridine-4-carboxamide

C14H11FN2O2 — CID 64991811

IUPAC3-fluoro-N-phenacylpyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C14H11FN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
InChIKeyLKKUJRRISZIJLV-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.83
Rot. Bonds4

About 3-fluoro-N-phenacylpyridine-4-carboxamide

3-fluoro-N-phenacylpyridine-4-carboxamide (PubChem CID 64991811) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-fluoro-N-phenacylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-phenacylpyridine-4-carboxamide
PubChem CID64991811
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name3-fluoro-N-phenacylpyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1F)c1ccccc1
InChIInChI=1S/C14H11FN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
InChIKeyLKKUJRRISZIJLV-UHFFFAOYSA-N
XLogP1.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
CID 115646427
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
N-[(E)-4-chlorobut-2-enyl]-3-fluoropyridine-4-carboxamide
CID 81429360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenacylpyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-phenacylpyridine-4-carboxamide (CID 64991811) is 3-fluoro-N-phenacylpyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-phenacylpyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-phenacylpyridine-4-carboxamide is O=C(CNC(=O)c1ccncc1F)c1ccccc1.
What is the InChIKey of 3-fluoro-N-phenacylpyridine-4-carboxamide?
The InChIKey is LKKUJRRISZIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-8-16-7-6-11(12)14(19)17-9-13(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19).
What are the key properties of 3-fluoro-N-phenacylpyridine-4-carboxamide?
3-fluoro-N-phenacylpyridine-4-carboxamide has a molecular weight of 258.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenacylpyridine-4-carboxamide is sourced from PubChem (CID 64991811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).