3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H13N5O2 — CID 100755005

IUPAC3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C15H13N5O2/c16-9-13-14(19-7-6-18-13)22-11-4-8-20(10-11)15(21)12-3-1-2-5-17-12/h1-3,5-7,11H,4,8,10H2/t11-/m0/s1
InChIKeyIRWGRJXACYEBEH-NSHDSACASA-N
MW295.30 g/mol
LogP1.04
Rot. Bonds3

About 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100755005) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100755005
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C15H13N5O2/c16-9-13-14(19-7-6-18-13)22-11-4-8-20(10-11)15(21)12-3-1-2-5-17-12/h1-3,5-7,11H,4,8,10H2/t11-/m0/s1
InChIKeyIRWGRJXACYEBEH-NSHDSACASA-N
XLogP1.04
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100755005) is 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is IRWGRJXACYEBEH-NSHDSACASA-N. The full InChI is InChI=1S/C15H13N5O2/c16-9-13-14(19-7-6-18-13)22-11-4-8-20(10-11)15(21)12-3-1-2-5-17-12/h1-3,5-7,11H,4,8,10H2/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 295.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100755005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).