6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid

C13H18N2O3 — CID 55142313

IUPAC6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(13(16)17)12(14-9)15-6-3-7-18-10(2)8-15/h4-5,10H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyZFPLSYDMIFDNNV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.70
Rot. Bonds2

About 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid

6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid (PubChem CID 55142313) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
PubChem CID55142313
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(13(16)17)12(14-9)15-6-3-7-18-10(2)8-15/h4-5,10H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyZFPLSYDMIFDNNV-UHFFFAOYSA-N
XLogP1.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 55152369
2-(3,5-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62710003
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
2-[3-[(2,3-dihydro-1-benzofuran-5-carbonylamino)methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 131938732
2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72941267
[5-fluoro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]carbamic acid
CID 154942859
6-cyclobutyl-2-(2-methyl-1,4-oxazepan-4-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 176694190
2-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 63219009

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid (CID 55142313) is 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCCOC(C)C2)n1.
What is the InChIKey of 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid?
The InChIKey is ZFPLSYDMIFDNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-11(13(16)17)12(14-9)15-6-3-7-18-10(2)8-15/h4-5,10H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid?
6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55142313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).