5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid

C17H21N3O4 — CID 122048923

IUPAC5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCOCCOCCN(Cc1ccccc1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C17H21N3O4/c1-23-9-10-24-8-7-20(13-14-5-3-2-4-6-14)16-12-18-15(11-19-16)17(21)22/h2-6,11-12H,7-10,13H2,1H3,(H,21,22)
InChIKeyUOSCHLKBJHQUAY-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.84
Rot. Bonds10

About 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid

5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122048923) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid
PubChem CID122048923
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCOCCOCCN(Cc1ccccc1)c1cnc(C(=O)O)cn1
InChIInChI=1S/C17H21N3O4/c1-23-9-10-24-8-7-20(13-14-5-3-2-4-6-14)16-12-18-15(11-19-16)17(21)22/h2-6,11-12H,7-10,13H2,1H3,(H,21,22)
InChIKeyUOSCHLKBJHQUAY-UHFFFAOYSA-N
XLogP1.84
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
5-[benzyl(ethyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109282875
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 174533398
methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114059804

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid (CID 122048923) is 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid is COCCOCCN(Cc1ccccc1)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is UOSCHLKBJHQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-9-10-24-8-7-20(13-14-5-3-2-4-6-14)16-12-18-15(11-19-16)17(21)22/h2-6,11-12H,7-10,13H2,1H3,(H,21,22).
What are the key properties of 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid?
5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).