2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone

C14H21N3O2 — CID 79775446

IUPAC2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
SMILESCCNCc1ccc(OCC(=O)N2CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-15-9-12-5-6-13(10-16-12)19-11-14(18)17-7-3-4-8-17/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyQHMQPIPWVPZKDC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.19
Rot. Bonds6

About 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone

2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone (PubChem CID 79775446) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
PubChem CID79775446
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
SMILESCCNCc1ccc(OCC(=O)N2CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-15-9-12-5-6-13(10-16-12)19-11-14(18)17-7-3-4-8-17/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyQHMQPIPWVPZKDC-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 79782287
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-1-piperidin-1-ylethanone
CID 79800097
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
1-(azepan-1-yl)-2-[(6-bromo-3-pyridinyl)oxy]ethanone
CID 71853625
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79781284
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone (CID 79775446) is 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone is CCNCc1ccc(OCC(=O)N2CCCC2)cn1.
What is the InChIKey of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is QHMQPIPWVPZKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-15-9-12-5-6-13(10-16-12)19-11-14(18)17-7-3-4-8-17/h5-6,10,15H,2-4,7-9,11H2,1H3.
What are the key properties of 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone?
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79775446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).