1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone

C15H16N4O2 — CID 100753789

IUPAC1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C15H16N4O2/c20-15(8-12-2-1-4-16-9-12)19-7-3-13(11-19)21-14-10-17-5-6-18-14/h1-2,4-6,9-10,13H,3,7-8,11H2/t13-/m0/s1
InChIKeyOYTODGHALHQDCZ-ZDUSSCGKSA-N
MW284.32 g/mol
LogP1.09
Rot. Bonds4

About 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 100753789) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID100753789
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C15H16N4O2/c20-15(8-12-2-1-4-16-9-12)19-7-3-13(11-19)21-14-10-17-5-6-18-14/h1-2,4-6,9-10,13H,3,7-8,11H2/t13-/m0/s1
InChIKeyOYTODGHALHQDCZ-ZDUSSCGKSA-N
XLogP1.09
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 100753789) is 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CC[C@H](Oc2cnccn2)C1.
What is the InChIKey of 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is OYTODGHALHQDCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-15(8-12-2-1-4-16-9-12)19-7-3-13(11-19)21-14-10-17-5-6-18-14/h1-2,4-6,9-10,13H,3,7-8,11H2/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 284.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 100753789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).