[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C17H26N4O — CID 127245885

IUPAC[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCCC1(C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C17H26N4O/c1-14(2)13-21-11-5-6-17(21,15-12-18-7-8-19-15)16(22)20-9-3-4-10-20/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeyAWJQOKCHRPMVJF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds4

About [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 127245885) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID127245885
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCCC1(C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C17H26N4O/c1-14(2)13-21-11-5-6-17(21,15-12-18-7-8-19-15)16(22)20-9-3-4-10-20/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeyAWJQOKCHRPMVJF-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 127245885) is [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)CN1CCCC1(C(=O)N1CCCC1)c1cnccn1.
What is the InChIKey of [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AWJQOKCHRPMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(2)13-21-11-5-6-17(21,15-12-18-7-8-19-15)16(22)20-9-3-4-10-20/h7-8,12,14H,3-6,9-11,13H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 127245885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).