methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate

C14H22N2O3 — CID 79151146

IUPACmethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
SMILESCCCNCc1nc(C)ccc1OC(C)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-5-8-15-9-12-13(7-6-10(2)16-12)19-11(3)14(17)18-4/h6-7,11,15H,5,8-9H2,1-4H3
InChIKeyVKYPLORYKDOJSJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds7

About methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate

methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate (PubChem CID 79151146) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
PubChem CID79151146
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
SMILESCCCNCc1nc(C)ccc1OC(C)C(=O)OC
InChIInChI=1S/C14H22N2O3/c1-5-8-15-9-12-13(7-6-10(2)16-12)19-11(3)14(17)18-4/h6-7,11,15H,5,8-9H2,1-4H3
InChIKeyVKYPLORYKDOJSJ-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79157524
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
CID 79157379
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate (CID 79151146) is methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate is CCCNCc1nc(C)ccc1OC(C)C(=O)OC.
What is the InChIKey of methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate?
The InChIKey is VKYPLORYKDOJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-8-15-9-12-13(7-6-10(2)16-12)19-11(3)14(17)18-4/h6-7,11,15H,5,8-9H2,1-4H3.
What are the key properties of methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate?
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79151146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).