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

C14H14N4O2 — CID 100753458

IUPAC[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C14H14N4O2/c19-14(12-3-1-2-5-16-12)18-8-4-11(10-18)20-13-9-15-6-7-17-13/h1-3,5-7,9,11H,4,8,10H2/t11-/m0/s1
InChIKeyQGMRRGIPJYZDKW-NSHDSACASA-N
MW270.29 g/mol
LogP1.17
Rot. Bonds3

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

[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 100753458) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID100753458
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C14H14N4O2/c19-14(12-3-1-2-5-16-12)18-8-4-11(10-18)20-13-9-15-6-7-17-13/h1-3,5-7,9,11H,4,8,10H2/t11-/m0/s1
InChIKeyQGMRRGIPJYZDKW-NSHDSACASA-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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Related Compounds

[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 100753458) is [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@H](Oc2cnccn2)C1.
What is the InChIKey of [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QGMRRGIPJYZDKW-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14(12-3-1-2-5-16-12)18-8-4-11(10-18)20-13-9-15-6-7-17-13/h1-3,5-7,9,11H,4,8,10H2/t11-/m0/s1.
What are the key properties of [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone 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 [(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 100753458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).