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

C9H12N4O3 — CID 107372326

IUPAC5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
SMILESCC(=O)NCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H12N4O3/c1-6(14)10-2-3-11-8-5-12-7(4-13-8)9(15)16/h4-5H,2-3H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyJJZXUYOEGSTKGB-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.28
Rot. Bonds5

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

5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid (PubChem CID 107372326) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
PubChem CID107372326
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
SMILESCC(=O)NCCNc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H12N4O3/c1-6(14)10-2-3-11-8-5-12-7(4-13-8)9(15)16/h4-5H,2-3H2,1H3,(H,10,14)(H,11,13)(H,15,16)
InChIKeyJJZXUYOEGSTKGB-UHFFFAOYSA-N
XLogP-0.28
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374531
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(5-methoxy-4,4-dimethylpentyl)amino]pyrazine-2-carboxylic acid
CID 122057461
5-[3-(2-methylpropylsulfanyl)propylamino]pyrazine-2-carboxylic acid
CID 122054578
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid (CID 107372326) is 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid is CC(=O)NCCNc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid?
The InChIKey is JJZXUYOEGSTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6(14)10-2-3-11-8-5-12-7(4-13-8)9(15)16/h4-5H,2-3H2,1H3,(H,10,14)(H,11,13)(H,15,16).
What are the key properties of 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid?
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).