6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid

C11H16N2O3 — CID 63009746

IUPAC6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCOCCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-13(7-4-8-16-2)10-6-3-5-9(12-10)11(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyGSNQGHKRBDBRLI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.25
Rot. Bonds6

About 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid

6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 63009746) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID63009746
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCOCCCN(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-13(7-4-8-16-2)10-6-3-5-9(12-10)11(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyGSNQGHKRBDBRLI-UHFFFAOYSA-N
XLogP1.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
CID 80823032
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[2-ethoxyethyl(methyl)amino]pyridine-2-carboxamide
CID 173079352
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
CID 103915135

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid (CID 63009746) is 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid is COCCCN(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is GSNQGHKRBDBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(7-4-8-16-2)10-6-3-5-9(12-10)11(14)15/h3,5-6H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid?
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63009746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).