ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate

C15H24N2O3 — CID 83038413

IUPACethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
SMILESCCCC(Oc1ccc(CNCC)nc1)C(=O)OCC
InChIInChI=1S/C15H24N2O3/c1-4-7-14(15(18)19-6-3)20-13-9-8-12(17-11-13)10-16-5-2/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyNOFUMJZUHFQHSM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds9

About ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate

ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate (PubChem CID 83038413) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
PubChem CID83038413
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
SMILESCCCC(Oc1ccc(CNCC)nc1)C(=O)OCC
InChIInChI=1S/C15H24N2O3/c1-4-7-14(15(18)19-6-3)20-13-9-8-12(17-11-13)10-16-5-2/h8-9,11,14,16H,4-7,10H2,1-3H3
InChIKeyNOFUMJZUHFQHSM-UHFFFAOYSA-N
XLogP2.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]butanoate
CID 79800006
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine
CID 79775993
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate?
The IUPAC name of ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate (CID 83038413) is ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate.
What is the SMILES notation for ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate?
The canonical SMILES for ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate is CCCC(Oc1ccc(CNCC)nc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate?
The InChIKey is NOFUMJZUHFQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-14(15(18)19-6-3)20-13-9-8-12(17-11-13)10-16-5-2/h8-9,11,14,16H,4-7,10H2,1-3H3.
What are the key properties of ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate?
ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate has a molecular weight of 280.37 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate is sourced from PubChem (CID 83038413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).