3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H14N4O2S — CID 100755466

IUPAC3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C15H14N4O2S/c16-8-13-15(18-4-3-17-13)21-12-1-5-19(9-12)14(20)7-11-2-6-22-10-11/h2-4,6,10,12H,1,5,7,9H2/t12-/m1/s1
InChIKeyNIAYNURJOXIXBN-GFCCVEGCSA-N
MW314.37 g/mol
LogP1.63
Rot. Bonds4

About 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100755466) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100755466
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C15H14N4O2S/c16-8-13-15(18-4-3-17-13)21-12-1-5-19(9-12)14(20)7-11-2-6-22-10-11/h2-4,6,10,12H,1,5,7,9H2/t12-/m1/s1
InChIKeyNIAYNURJOXIXBN-GFCCVEGCSA-N
XLogP1.63
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100755466) is 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is NIAYNURJOXIXBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-8-13-15(18-4-3-17-13)21-12-1-5-19(9-12)14(20)7-11-2-6-22-10-11/h2-4,6,10,12H,1,5,7,9H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 314.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100755466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).