5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid

C10H11N3O3 — CID 117213082

IUPAC5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-12-8(6-11-7)10(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyJVWDQQJAWZUVLB-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.41
Rot. Bonds2

About 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid

5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 117213082) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID117213082
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-12-8(6-11-7)10(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyJVWDQQJAWZUVLB-UHFFFAOYSA-N
XLogP0.41
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(pyrrolidine-1-carbonyl)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

5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447
5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120690280
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120684948
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
4-[5-(azepane-1-carbonyl)pyrazin-2-yl]piperazine-1-carbaldehyde
CID 109278935

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid (CID 117213082) is 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N2CCCC2)cn1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is JVWDQQJAWZUVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(13-3-1-2-4-13)7-5-12-8(6-11-7)10(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 117213082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).