pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C14H14N4O2 — CID 110196240

IUPACpyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C14H14N4O2/c19-14(13-9-16-5-6-17-13)18-7-3-12(10-18)20-11-2-1-4-15-8-11/h1-2,4-6,8-9,12H,3,7,10H2
InChIKeyXDEOZHYGHPETQS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.17
Rot. Bonds3

About pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 110196240) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID110196240
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Namepyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C14H14N4O2/c19-14(13-9-16-5-6-17-13)18-7-3-12(10-18)20-11-2-1-4-15-8-11/h1-2,4-6,8-9,12H,3,7,10H2
InChIKeyXDEOZHYGHPETQS-UHFFFAOYSA-N
XLogP1.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 110196240) is pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is O=C(c1cnccn1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is XDEOZHYGHPETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14(13-9-16-5-6-17-13)18-7-3-12(10-18)20-11-2-1-4-15-8-11/h1-2,4-6,8-9,12H,3,7,10H2.
What are the key properties of pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 270.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 110196240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).