3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide

C14H14FN3O2 — CID 116812529

IUPAC3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
SMILESNc1ccccc1OCCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C14H14FN3O2/c15-12-6-3-7-13(17-12)18-14(19)8-9-20-11-5-2-1-4-10(11)16/h1-7H,8-9,16H2,(H,17,18,19)
InChIKeyZETLLBXSFPKKRU-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.21
Rot. Bonds5

About 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide

3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide (PubChem CID 116812529) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
PubChem CID116812529
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
SMILESNc1ccccc1OCCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C14H14FN3O2/c15-12-6-3-7-13(17-12)18-14(19)8-9-20-11-5-2-1-4-10(11)16/h1-7H,8-9,16H2,(H,17,18,19)
InChIKeyZETLLBXSFPKKRU-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Ethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769331
N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2908518
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
1-(2-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 781181
N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide
CID 15994592
N-(2-ethoxyphenyl)-6-methylpyridin-2-amine
CID 44404872
N-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-amine
CID 44404873
N-(2-methoxyphenyl)-N'-2-pyridinylurea
CID 808186
2-(4-methoxyphenoxy)-N-(6-methylpyridin-2-yl)propanamide
CID 2952750
2-(2-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 6486947
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]acetamide
CID 135536869

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide (CID 116812529) is 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide is Nc1ccccc1OCCC(=O)Nc1cccc(F)n1.
What is the InChIKey of 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The InChIKey is ZETLLBXSFPKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-6-3-7-13(17-12)18-14(19)8-9-20-11-5-2-1-4-10(11)16/h1-7H,8-9,16H2,(H,17,18,19).
What are the key properties of 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide has a molecular weight of 275.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 116812529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).