2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide

C13H20N2O3 — CID 79157055

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C)nc1CO
InChIInChI=1S/C13H20N2O3/c1-4-7-14-13(17)10(3)18-12-6-5-9(2)15-11(12)8-16/h5-6,10,16H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyRIQWLCULJZLWKW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.18
Rot. Bonds6

About 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide (PubChem CID 79157055) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
PubChem CID79157055
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C)nc1CO
InChIInChI=1S/C13H20N2O3/c1-4-7-14-13(17)10(3)18-12-6-5-9(2)15-11(12)8-16/h5-6,10,16H,4,7-8H2,1-3H3,(H,14,17)
InChIKeyRIQWLCULJZLWKW-UHFFFAOYSA-N
XLogP1.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79157524
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729
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
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide (CID 79157055) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(C)nc1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide?
The InChIKey is RIQWLCULJZLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-7-14-13(17)10(3)18-12-6-5-9(2)15-11(12)8-16/h5-6,10,16H,4,7-8H2,1-3H3,(H,14,17).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide is sourced from PubChem (CID 79157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).