2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide

C13H21N3O2 — CID 79169410

IUPAC2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(C)nc1CCN
InChIInChI=1S/C13H21N3O2/c1-4-15-13(17)10(3)18-12-6-5-9(2)16-11(12)7-8-14/h5-6,10H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyAKRSNXMYUNNACU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds6

About 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide

2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide (PubChem CID 79169410) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
PubChem CID79169410
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(C)nc1CCN
InChIInChI=1S/C13H21N3O2/c1-4-15-13(17)10(3)18-12-6-5-9(2)16-11(12)7-8-14/h5-6,10H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyAKRSNXMYUNNACU-UHFFFAOYSA-N
XLogP0.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
N-ethyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79151419
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79151015
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
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
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530
2-[1-(2-aminoethyl)naphthalen-2-yl]oxy-N-ethylpropanamide
CID 60906013
3-[3-[1-(ethylamino)-1-oxopropan-2-yl]oxy-6-methyl-2-pyridinyl]prop-2-enoic acid
CID 79169058
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide (CID 79169410) is 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(C)nc1CCN.
What is the InChIKey of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
The InChIKey is AKRSNXMYUNNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-15-13(17)10(3)18-12-6-5-9(2)16-11(12)7-8-14/h5-6,10H,4,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide?
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide is sourced from PubChem (CID 79169410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).