2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid

C14H22N2O4 — CID 82960357

IUPAC2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
SMILESCCOCCN(CCOCC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H22N2O4/c1-3-19-9-7-16(8-10-20-4-2)13-11-12(14(17)18)5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyXRTXMJWVMYPXSK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.66
Rot. Bonds10

About 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid

2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid (PubChem CID 82960357) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
PubChem CID82960357
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
SMILESCCOCCN(CCOCC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H22N2O4/c1-3-19-9-7-16(8-10-20-4-2)13-11-12(14(17)18)5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,18)
InChIKeyXRTXMJWVMYPXSK-UHFFFAOYSA-N
XLogP1.66
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.66
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

1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325401
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82951786
3-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 102822991
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid (CID 82960357) is 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid is CCOCCN(CCOCC)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is XRTXMJWVMYPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-19-9-7-16(8-10-20-4-2)13-11-12(14(17)18)5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid?
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 82960357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).