2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide

C14H23N3O2 — CID 79799979

IUPAC2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(CCN)nc1
InChIInChI=1S/C14H23N3O2/c1-11(2)6-8-16-14(18)10-19-13-4-3-12(5-7-15)17-9-13/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,16,18)
InChIKeyKRJWLFIWJSHGFL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.12
Rot. Bonds8

About 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide

2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide (PubChem CID 79799979) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
PubChem CID79799979
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(CCN)nc1
InChIInChI=1S/C14H23N3O2/c1-11(2)6-8-16-14(18)10-19-13-4-3-12(5-7-15)17-9-13/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,16,18)
InChIKeyKRJWLFIWJSHGFL-UHFFFAOYSA-N
XLogP1.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795056
3-[5-[2-(3-methylbutylamino)-2-oxoethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79790192
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 79799793
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 61486884

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide (CID 79799979) is 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(CCN)nc1.
What is the InChIKey of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide?
The InChIKey is KRJWLFIWJSHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)6-8-16-14(18)10-19-13-4-3-12(5-7-15)17-9-13/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide?
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).