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

C14H23N3O2 — CID 79168812

IUPAC3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(CCN)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)16-14(18)7-9-19-13-5-4-11(3)17-12(13)6-8-15/h4-5,10H,6-9,15H2,1-3H3,(H,16,18)
InChIKeyHUWFEOLGAXCYTB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.18
Rot. Bonds7

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

3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide (PubChem CID 79168812) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
PubChem CID79168812
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCCC(=O)NC(C)C)c(CCN)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)16-14(18)7-9-19-13-5-4-11(3)17-12(13)6-8-15/h4-5,10H,6-9,15H2,1-3H3,(H,16,18)
InChIKeyHUWFEOLGAXCYTB-UHFFFAOYSA-N
XLogP1.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79158097
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79151234
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413
methyl 3-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79151614
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide (CID 79168812) is 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide is Cc1ccc(OCCC(=O)NC(C)C)c(CCN)n1.
What is the InChIKey of 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
The InChIKey is HUWFEOLGAXCYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)16-14(18)7-9-19-13-5-4-11(3)17-12(13)6-8-15/h4-5,10H,6-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide?
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 79168812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).