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

C19H20N4O2 — CID 100754753

IUPAC3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCC[C@@H](C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-16(14-6-4-3-5-7-14)19(24)23-11-8-15(13-23)25-18-17(12-20)21-9-10-22-18/h3-7,9-10,15-16H,2,8,11,13H2,1H3/t15-,16-/m1/s1
InChIKeyYZLAFGUPZICFSZ-HZPDHXFCSA-N
MW336.40 g/mol
LogP2.52
Rot. Bonds5

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

3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100754753) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100754753
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCC[C@@H](C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-16(14-6-4-3-5-7-14)19(24)23-11-8-15(13-23)25-18-17(12-20)21-9-10-22-18/h3-7,9-10,15-16H,2,8,11,13H2,1H3/t15-,16-/m1/s1
InChIKeyYZLAFGUPZICFSZ-HZPDHXFCSA-N
XLogP2.52
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100754753) is 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is CC[C@@H](C(=O)N1CC[C@@H](Oc2nccnc2C#N)C1)c1ccccc1.
What is the InChIKey of 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is YZLAFGUPZICFSZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-16(14-6-4-3-5-7-14)19(24)23-11-8-15(13-23)25-18-17(12-20)21-9-10-22-18/h3-7,9-10,15-16H,2,8,11,13H2,1H3/t15-,16-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100754753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).