3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

C13H16N4O2 — CID 90636477

IUPAC3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCCCC(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C13H16N4O2/c1-2-3-12(18)17-7-4-10(9-17)19-13-11(8-14)15-5-6-16-13/h5-6,10H,2-4,7,9H2,1H3
InChIKeyYFFAOCYSQSRKPN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.13
Rot. Bonds4

About 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile

3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (PubChem CID 90636477) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
PubChem CID90636477
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
SMILESCCCC(=O)N1CCC(Oc2nccnc2C#N)C1
InChIInChI=1S/C13H16N4O2/c1-2-3-12(18)17-7-4-10(9-17)19-13-11(8-14)15-5-6-16-13/h5-6,10H,2-4,7,9H2,1H3
InChIKeyYFFAOCYSQSRKPN-UHFFFAOYSA-N
XLogP1.13
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-(5-phenylpentanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636668
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[1-[3-(3-methylphenyl)propanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636679
N-[2-[(3R)-3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 100755123
3-[1-(2-naphthalen-1-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636576
3-[1-(4-propylthiadiazole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626791
N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90636747
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818

Frequently Asked Questions

What is the IUPAC name of 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile (CID 90636477) is 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is CCCC(=O)N1CCC(Oc2nccnc2C#N)C1.
What is the InChIKey of 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
The InChIKey is YFFAOCYSQSRKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-3-12(18)17-7-4-10(9-17)19-13-11(8-14)15-5-6-16-13/h5-6,10H,2-4,7,9H2,1H3.
What are the key properties of 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile?
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).