4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid

C11H16N2O4 — CID 81243550

IUPAC4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESCOCCOCCNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-16-6-7-17-5-4-13-10-2-3-12-8-9(10)11(14)15/h2-3,8H,4-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySCPGLJBOILOUBW-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.85
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid

4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81243550) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
PubChem CID81243550
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESCOCCOCCNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-16-6-7-17-5-4-13-10-2-3-12-8-9(10)11(14)15/h2-3,8H,4-7H2,1H3,(H,12,13)(H,14,15)
InChIKeySCPGLJBOILOUBW-UHFFFAOYSA-N
XLogP0.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.85
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

4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid (CID 81243550) is 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid is COCCOCCNc1ccncc1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is SCPGLJBOILOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-6-7-17-5-4-13-10-2-3-12-8-9(10)11(14)15/h2-3,8H,4-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid?
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).