2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one

C16H25N3O2 — CID 79781284

IUPAC2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCNCc1ccc(OC(C)C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-11-14-6-7-15(12-18-14)21-13(2)16(20)19-9-4-5-10-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyNMBQSLOYXOLPHL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.97
Rot. Bonds7

About 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one

2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 79781284) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID79781284
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCNCc1ccc(OC(C)C(=O)N2CCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-11-14-6-7-15(12-18-14)21-13(2)16(20)19-9-4-5-10-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyNMBQSLOYXOLPHL-UHFFFAOYSA-N
XLogP1.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propan-1-one
CID 79800104
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-1-(azepan-1-yl)propan-1-one
CID 79790443
5-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794863
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one (CID 79781284) is 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one is CCCNCc1ccc(OC(C)C(=O)N2CCCC2)cn1.
What is the InChIKey of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NMBQSLOYXOLPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-17-11-14-6-7-15(12-18-14)21-13(2)16(20)19-9-4-5-10-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3.
What are the key properties of 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79781284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).