cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone

C16H24N4O2 — CID 133375004

IUPACcyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESCCOc1cncc(NC2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-2-22-15-10-17-9-14(19-15)18-13-7-8-20(11-13)16(21)12-5-3-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,18,19)
InChIKeyQBSXTGSPLCHNET-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.08
Rot. Bonds5

About cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 133375004) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID133375004
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namecyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESCCOc1cncc(NC2CCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-2-22-15-10-17-9-14(19-15)18-13-7-8-20(11-13)16(21)12-5-3-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,18,19)
InChIKeyQBSXTGSPLCHNET-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone (CID 133375004) is cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone is CCOc1cncc(NC2CCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is QBSXTGSPLCHNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-22-15-10-17-9-14(19-15)18-13-7-8-20(11-13)16(21)12-5-3-4-6-12/h9-10,12-13H,2-8,11H2,1H3,(H,18,19).
What are the key properties of cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133375004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).