2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate

C14H22N2O3 — CID 82532252

IUPAC2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
SMILESCCCCNCCOCCOC(=O)c1ccncc1
InChIInChI=1S/C14H22N2O3/c1-2-3-6-15-9-10-18-11-12-19-14(17)13-4-7-16-8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyYNSYRRAZLTUINL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds10

About 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate

2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate (PubChem CID 82532252) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
PubChem CID82532252
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
SMILESCCCCNCCOCCOC(=O)c1ccncc1
InChIInChI=1S/C14H22N2O3/c1-2-3-6-15-9-10-18-11-12-19-14(17)13-4-7-16-8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3
InChIKeyYNSYRRAZLTUINL-UHFFFAOYSA-N
XLogP1.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
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

2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
pentyl pyridine-4-carboxylate
CID 531655
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
3-(methylamino)propyl pyridine-4-carboxylate
CID 154943114
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
3-(butylamino)propyl 4-fluorobenzoate
CID 82532339
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
methyl pyridine-4-carboxylate;pentanamide
CID 174992063
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate (CID 82532252) is 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate is CCCCNCCOCCOC(=O)c1ccncc1.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate?
The InChIKey is YNSYRRAZLTUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-6-15-9-10-18-11-12-19-14(17)13-4-7-16-8-5-13/h4-5,7-8,15H,2-3,6,9-12H2,1H3.
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate?
2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate is sourced from PubChem (CID 82532252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).