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

C10H13FN2O2 — CID 115371607

IUPAC2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)nc1
InChIInChI=1S/C10H13FN2O2/c1-2-5-12-10(14)7-15-8-3-4-9(11)13-6-8/h3-4,6H,2,5,7H2,1H3,(H,12,14)
InChIKeyBKTFBBUFKDEQQX-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.13
Rot. Bonds5

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

2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide (PubChem CID 115371607) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
PubChem CID115371607
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)nc1
InChIInChI=1S/C10H13FN2O2/c1-2-5-12-10(14)7-15-8-3-4-9(11)13-6-8/h3-4,6H,2,5,7H2,1H3,(H,12,14)
InChIKeyBKTFBBUFKDEQQX-UHFFFAOYSA-N
XLogP1.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.13
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-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
CID 166386485
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
3-[5-[2-oxo-2-(propylamino)ethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799965
2-(1-ethylpyrazol-4-yl)oxy-N-propylacetamide
CID 116804713
methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
CID 47059935
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
6-fluoro-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 63979339
2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide?
The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide (CID 115371607) is 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide.
What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide?
The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide is CCCNC(=O)COc1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide?
The InChIKey is BKTFBBUFKDEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-5-12-10(14)7-15-8-3-4-9(11)13-6-8/h3-4,6H,2,5,7H2,1H3,(H,12,14).
What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide?
2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide has a molecular weight of 212.22 g/mol, XLogP of 1.13, 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-propylacetamide is sourced from PubChem (CID 115371607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).