3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C14H17N5O3 — CID 100755951

IUPAC3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H17N5O3/c15-9-12-13(17-3-2-16-12)22-11-1-4-19(10-11)14(20)18-5-7-21-8-6-18/h2-3,11H,1,4-8,10H2/t11-/m0/s1
InChIKeyOICSUNSKTCQATQ-NSHDSACASA-N
MW303.32 g/mol
LogP0.25
Rot. Bonds2

About 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100755951) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100755951
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C14H17N5O3/c15-9-12-13(17-3-2-16-12)22-11-1-4-19(10-11)14(20)18-5-7-21-8-6-18/h2-3,11H,1,4-8,10H2/t11-/m0/s1
InChIKeyOICSUNSKTCQATQ-NSHDSACASA-N
XLogP0.25
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100755951) is 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@H]1CCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is OICSUNSKTCQATQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O3/c15-9-12-13(17-3-2-16-12)22-11-1-4-19(10-11)14(20)18-5-7-21-8-6-18/h2-3,11H,1,4-8,10H2/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 303.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).