1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone

C11H16N2O2 — CID 142409466

IUPAC1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCCCN)cn1
InChIInChI=1S/C11H16N2O2/c1-9(14)11-5-4-10(8-13-11)15-7-3-2-6-12/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyIZDGFSWPNAFQNY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.40
Rot. Bonds6

About 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone

1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone (PubChem CID 142409466) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
PubChem CID142409466
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCCCCN)cn1
InChIInChI=1S/C11H16N2O2/c1-9(14)11-5-4-10(8-13-11)15-7-3-2-6-12/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyIZDGFSWPNAFQNY-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175
1-(5-octoxy-2-pyridinyl)propan-1-one
CID 112583834
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone (CID 142409466) is 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(OCCCCN)cn1.
What is the InChIKey of 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone?
The InChIKey is IZDGFSWPNAFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)11-5-4-10(8-13-11)15-7-3-2-6-12/h4-5,8H,2-3,6-7,12H2,1H3.
What are the key properties of 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone?
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 142409466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).