[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C14H20N4O2 — CID 128978030

IUPAC[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnccn2)C1
InChIInChI=1S/C14H20N4O2/c1-20-11-8-12(14(19)17-6-2-3-7-17)18(10-11)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t11-,12-/m0/s1
InChIKeyGMFUDBLXTDFYPP-RYUDHWBXSA-N
MW276.34 g/mol
LogP0.69
Rot. Bonds3

About [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128978030) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID128978030
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnccn2)C1
InChIInChI=1S/C14H20N4O2/c1-20-11-8-12(14(19)17-6-2-3-7-17)18(10-11)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t11-,12-/m0/s1
InChIKeyGMFUDBLXTDFYPP-RYUDHWBXSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 128978030) is [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cnccn2)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GMFUDBLXTDFYPP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-11-8-12(14(19)17-6-2-3-7-17)18(10-11)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-1-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).