2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide

C13H19FN2O2 — CID 113296492

IUPAC2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(F)nc1
InChIInChI=1S/C13H19FN2O2/c1-5-13(3,4)16-12(17)9(2)18-10-6-7-11(14)15-8-10/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyHWUIXYXECMPWPG-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.29
Rot. Bonds5

About 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide

2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 113296492) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID113296492
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(F)nc1
InChIInChI=1S/C13H19FN2O2/c1-5-13(3,4)16-12(17)9(2)18-10-6-7-11(14)15-8-10/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyHWUIXYXECMPWPG-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79800064
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79790620
2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
CID 113296486
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-(4-fluorophenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968801
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide (CID 113296492) is 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is HWUIXYXECMPWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-5-13(3,4)16-12(17)9(2)18-10-6-7-11(14)15-8-10/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide?
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 113296492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).