3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C18H18N4O3 — CID 90636556

IUPAC3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C18H18N4O3/c1-13(24-14-5-3-2-4-6-14)18(23)22-10-7-15(12-22)25-17-16(11-19)20-8-9-21-17/h2-6,8-9,13,15H,7,10,12H2,1H3
InChIKeyWOPFIXWIEBXYFU-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.80
Rot. Bonds5

About 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 90636556) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID90636556
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C18H18N4O3/c1-13(24-14-5-3-2-4-6-14)18(23)22-10-7-15(12-22)25-17-16(11-19)20-8-9-21-17/h2-6,8-9,13,15H,7,10,12H2,1H3
InChIKeyWOPFIXWIEBXYFU-UHFFFAOYSA-N
XLogP1.80
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636451
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[1-(5-phenylpentanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636668
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[1-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626778
3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755061
3-[(3S)-1-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100900734

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 90636556) is 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is CC(Oc1ccccc1)C(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is WOPFIXWIEBXYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-13(24-14-5-3-2-4-6-14)18(23)22-10-7-15(12-22)25-17-16(11-19)20-8-9-21-17/h2-6,8-9,13,15H,7,10,12H2,1H3.
What are the key properties of 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 338.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).