2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid

C12H18N2O4 — CID 55107366

IUPAC2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOCCOCCNc1nc(C)ccc1C(=O)O
InChIInChI=1S/C12H18N2O4/c1-9-3-4-10(12(15)16)11(14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAJDLYNBHRVECLN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.16
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid

2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 55107366) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID55107366
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOCCOCCNc1nc(C)ccc1C(=O)O
InChIInChI=1S/C12H18N2O4/c1-9-3-4-10(12(15)16)11(14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAJDLYNBHRVECLN-UHFFFAOYSA-N
XLogP1.16
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
6-methyl-2-(pent-3-ynylamino)pyridine-3-carboxylic acid
CID 116645397
2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
CID 102700954
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
2-[(4-bromophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 62711478
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876203
6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 63330922
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 55107366) is 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid is COCCOCCNc1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is AJDLYNBHRVECLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-3-4-10(12(15)16)11(14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid?
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 55107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).