[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone

C14H22N4O2 — CID 107376688

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-5-15-13-8-16-12(7-17-13)14(20)18-6-4-11(9-18)10(2)19/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,15,17)
InChIKeySCSDVOXVTXLIRY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds5

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone (PubChem CID 107376688) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
PubChem CID107376688
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
SMILESCCCNc1cnc(C(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-5-15-13-8-16-12(7-17-13)14(20)18-6-4-11(9-18)10(2)19/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,15,17)
InChIKeySCSDVOXVTXLIRY-UHFFFAOYSA-N
XLogP1.14
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
(2,2-dimethylthiomorpholin-4-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376996
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone (CID 107376688) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone is CCCNc1cnc(C(=O)N2CCC(C(C)O)C2)cn1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
The InChIKey is SCSDVOXVTXLIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-5-15-13-8-16-12(7-17-13)14(20)18-6-4-11(9-18)10(2)19/h7-8,10-11,19H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone has a molecular weight of 278.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).