[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C13H20N4O — CID 109272535

IUPAC[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCNc1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-3-6-14-12-10-15-11(9-16-12)13(18)17-7-4-5-8-17/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyCGJSTGRXINQXFK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds5

About [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109272535) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID109272535
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCNc1cnc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O/c1-2-3-6-14-12-10-15-11(9-16-12)13(18)17-7-4-5-8-17/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyCGJSTGRXINQXFK-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295

Frequently Asked Questions

What is the IUPAC name of [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 109272535) is [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is CCCCNc1cnc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CGJSTGRXINQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-6-14-12-10-15-11(9-16-12)13(18)17-7-4-5-8-17/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).