4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid

C14H19NO4 — CID 62383709

IUPAC4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC2CCOCC2)n1
InChIInChI=1S/C14H19NO4/c1-9-7-10(2)15-13(12(9)14(16)17)19-8-11-3-5-18-6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNLZCLSBIXHYPDJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.20
Rot. Bonds4

About 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid

4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid (PubChem CID 62383709) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
PubChem CID62383709
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC2CCOCC2)n1
InChIInChI=1S/C14H19NO4/c1-9-7-10(2)15-13(12(9)14(16)17)19-8-11-3-5-18-6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNLZCLSBIXHYPDJ-UHFFFAOYSA-N
XLogP2.20
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol
CID 54977105
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
CID 61004153
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052
5-bromo-3-methyl-2-(oxan-4-ylmethoxy)benzoic acid
CID 112620882
2-methyl-4-(oxan-4-ylmethoxy)benzoic acid
CID 81282466
2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
CID 79680309
4-methyl-2-(oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CID 83181937
[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
CID 62384187
N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62322089
[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 62381743
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81243824

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid (CID 62383709) is 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(OCC2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid?
The InChIKey is NLZCLSBIXHYPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-10(2)15-13(12(9)14(16)17)19-8-11-3-5-18-6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid?
4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 62383709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).