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

C13H20N2O3 — CID 79157642

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)C)c(CO)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)15(4)13(17)8-18-12-6-5-10(3)14-11(12)7-16/h5-6,9,16H,7-8H2,1-4H3
InChIKeyIXEGFFKGLSCWHI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.13
Rot. Bonds5

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

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 79157642) 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-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID79157642
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)C)c(CO)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)15(4)13(17)8-18-12-6-5-10(3)14-11(12)7-16/h5-6,9,16H,7-8H2,1-4H3
InChIKeyIXEGFFKGLSCWHI-UHFFFAOYSA-N
XLogP1.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methylacetamide
CID 99931726
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide (CID 79157642) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide is Cc1ccc(OCC(=O)N(C)C(C)C)c(CO)n1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is IXEGFFKGLSCWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)15(4)13(17)8-18-12-6-5-10(3)14-11(12)7-16/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79157642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).