2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid

C12H18N2O4 — CID 113378613

IUPAC2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
SMILESCOCCOCCNc1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C12H18N2O4/c1-9-7-10(12(15)16)8-11(14-9)13-3-4-18-6-5-17-2/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLIPCMTLDUSAOHN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.16
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid

2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid (PubChem CID 113378613) 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-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
PubChem CID113378613
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
SMILESCOCCOCCNc1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C12H18N2O4/c1-9-7-10(12(15)16)8-11(14-9)13-3-4-18-6-5-17-2/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLIPCMTLDUSAOHN-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-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinic acid
CID 44138128
2-((4-Fluoro-2-methylphenylamino)methyl)-6-((2-hydroxyethyl)(methyl)amino)isonicotinic acid
CID 44592260
2-((4-Fluoro-2-methylphenylamino)methyl)-6-(2-hydroxyethylamino)isonicotinic acid
CID 44592261
2-(Bis(2-hydroxyethyl)amino)-6-((4-fluoro-2-methylphenylamino)methyl)isonicotinic acid
CID 44592262
Methyl 2-(benzylamino)-6-morpholin-4-ylpyridine-4-carboxylate
CID 71453177
2-(Cyclopropylamino)-6-methylpyridine-4-carboxylic acid
CID 83698075
2-(Diethylamino)-6-methylisonicotinic acid
CID 58418055
2-[(3R*,4S*)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-methylisonicotinic acid
CID 72906817
6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057986
6-Morpholin-4-yl-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67452898
6-(Propylamino)-4-(trifluoromethyl)picolinic acid
CID 67453765
(S)-2-sec-Butylamino-6-difluoromethyl-isonicotinic acid methyl ester
CID 68814274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid (CID 113378613) is 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid is COCCOCCNc1cc(C(=O)O)cc(C)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is LIPCMTLDUSAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-7-10(12(15)16)8-11(14-9)13-3-4-18-6-5-17-2/h7-8H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid?
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-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-4-carboxylic acid is sourced from PubChem (CID 113378613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).