2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide

C13H19FN2O2 — CID 113296486

IUPAC2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(F)nc1
InChIInChI=1S/C13H19FN2O2/c1-4-5-9(2)16-13(17)10(3)18-11-6-7-12(14)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyPVRSPSOWTWUXRM-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.29
Rot. Bonds6

About 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide

2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide (PubChem CID 113296486) 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-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
PubChem CID113296486
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(F)nc1
InChIInChI=1S/C13H19FN2O2/c1-4-5-9(2)16-13(17)10(3)18-11-6-7-12(14)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyPVRSPSOWTWUXRM-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
CID 43113710
N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
CID 67302905
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
N-pentan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxypropanamide
CID 116805212
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
2-methyl-4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107671023
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide (CID 113296486) is 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide?
The InChIKey is PVRSPSOWTWUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-5-9(2)16-13(17)10(3)18-11-6-7-12(14)15-8-11/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide?
2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 2.29, 6 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-pentan-2-ylpropanamide is sourced from PubChem (CID 113296486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).