6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide

C16H17FN2O2 — CID 58533730

IUPAC6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-11(2)19-16(20)12-6-7-14(18-9-12)10-21-15-5-3-4-13(17)8-15/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyUFQMVPNIGMSPOT-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.94
Rot. Bonds5

About 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide

6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 58533730) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID58533730
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN2O2/c1-11(2)19-16(20)12-6-7-14(18-9-12)10-21-15-5-3-4-13(17)8-15/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyUFQMVPNIGMSPOT-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-fluorophenoxy)methyl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
CID 58533769
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-(2-bicyclo[2.2.1]heptanyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 161072866
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
6-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide
CID 58533705
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide (CID 58533730) is 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1ccc(COc2cccc(F)c2)nc1.
What is the InChIKey of 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UFQMVPNIGMSPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(2)19-16(20)12-6-7-14(18-9-12)10-21-15-5-3-4-13(17)8-15/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide?
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58533730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).