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

C13H20N2O4 — CID 55137664

IUPAC6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
SMILESCOCCCN(CCOC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O4/c1-18-8-3-6-15(7-9-19-2)12-5-4-11(10-14-12)13(16)17/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyAXFRVFFBXYDPDS-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.27
Rot. Bonds9

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

6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid (PubChem CID 55137664) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
PubChem CID55137664
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
SMILESCOCCCN(CCOC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H20N2O4/c1-18-8-3-6-15(7-9-19-2)12-5-4-11(10-14-12)13(16)17/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyAXFRVFFBXYDPDS-UHFFFAOYSA-N
XLogP1.27
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 66233200
5-(2-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 80634663
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 62284666
3-bromo-5-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 102822811
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazin-2-amine
CID 107379629
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 54989774
5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
CID 54989948

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid (CID 55137664) is 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid is COCCCN(CCOC)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is AXFRVFFBXYDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-8-3-6-15(7-9-19-2)12-5-4-11(10-14-12)13(16)17/h4-5,10H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid?
6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55137664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).