2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide

C15H25N3O2 — CID 79800064

IUPAC2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CCN)nc1
InChIInChI=1S/C15H25N3O2/c1-5-15(3,4)18-14(19)11(2)20-13-7-6-12(8-9-16)17-10-13/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,18,19)
InChIKeyWLDJLWHECKADQI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.65
Rot. Bonds7

About 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide

2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 79800064) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID79800064
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CCN)nc1
InChIInChI=1S/C15H25N3O2/c1-5-15(3,4)18-14(19)11(2)20-13-7-6-12(8-9-16)17-10-13/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,18,19)
InChIKeyWLDJLWHECKADQI-UHFFFAOYSA-N
XLogP1.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79790620
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-1-(azepan-1-yl)propan-1-one
CID 79790443
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide (CID 79800064) is 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(CCN)nc1.
What is the InChIKey of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is WLDJLWHECKADQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(3,4)18-14(19)11(2)20-13-7-6-12(8-9-16)17-10-13/h6-7,10-11H,5,8-9,16H2,1-4H3,(H,18,19).
What are the key properties of 2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.65, 7 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-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 79800064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).