2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide

C9H12FN3O2 — CID 103808701

IUPAC2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESNCCOCC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O2/c10-8-2-1-7(5-12-8)13-9(14)6-15-4-3-11/h1-2,5H,3-4,6,11H2,(H,13,14)
InChIKeyQVBMLRPIEZOFKQ-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.13
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide

2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide (PubChem CID 103808701) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
PubChem CID103808701
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESNCCOCC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C9H12FN3O2/c10-8-2-1-7(5-12-8)13-9(14)6-15-4-3-11/h1-2,5H,3-4,6,11H2,(H,13,14)
InChIKeyQVBMLRPIEZOFKQ-UHFFFAOYSA-N
XLogP0.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
2-(2-aminoethoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 79473295
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
CID 69252499
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
4-[[2-(2-aminoethoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 79474171
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide (CID 103808701) is 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide is NCCOCC(=O)Nc1ccc(F)nc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide?
The InChIKey is QVBMLRPIEZOFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-8-2-1-7(5-12-8)13-9(14)6-15-4-3-11/h1-2,5H,3-4,6,11H2,(H,13,14).
What are the key properties of 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide?
2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide has a molecular weight of 213.21 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 103808701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).