2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide

C15H23N3O2 — CID 79795592

IUPAC2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1ccc(OC(C)C(=O)NC2CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-11(16)8-13-6-7-14(9-17-13)20-10(2)15(19)18-12-4-5-12/h6-7,9-12H,3-5,8,16H2,1-2H3,(H,18,19)
InChIKeyPXUJUAIXEBINFI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds7

About 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide (PubChem CID 79795592) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
PubChem CID79795592
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1ccc(OC(C)C(=O)NC2CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-11(16)8-13-6-7-14(9-17-13)20-10(2)15(19)18-12-4-5-12/h6-7,9-12H,3-5,8,16H2,1-2H3,(H,18,19)
InChIKeyPXUJUAIXEBINFI-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79790620
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
CID 78930256
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 115958256

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide (CID 79795592) is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide is CCC(N)Cc1ccc(OC(C)C(=O)NC2CC2)cn1.
What is the InChIKey of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
The InChIKey is PXUJUAIXEBINFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(16)8-13-6-7-14(9-17-13)20-10(2)15(19)18-12-4-5-12/h6-7,9-12H,3-5,8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide?
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 79795592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).