5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid

C14H21N3O3 — CID 122053882

IUPAC5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCOC2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O3/c18-14(19)12-9-17-13(10-16-12)15-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,17)(H,18,19)
InChIKeyHYWPMXNSHCHNOU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.33
Rot. Bonds6

About 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid

5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid (PubChem CID 122053882) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
PubChem CID122053882
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCOC2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O3/c18-14(19)12-9-17-13(10-16-12)15-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,17)(H,18,19)
InChIKeyHYWPMXNSHCHNOU-UHFFFAOYSA-N
XLogP2.33
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
CID 122053930
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701

Frequently Asked Questions

What is the IUPAC name of 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid (CID 122053882) is 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCOC2CCCCCC2)cn1.
What is the InChIKey of 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid?
The InChIKey is HYWPMXNSHCHNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-14(19)12-9-17-13(10-16-12)15-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,17)(H,18,19).
What are the key properties of 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid?
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).