3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C21H22N4O3 — CID 100755061

IUPAC3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C21H22N4O3/c22-14-18-19(24-10-9-23-18)28-17-6-11-25(15-17)20(26)21(7-12-27-13-8-21)16-4-2-1-3-5-16/h1-5,9-10,17H,6-8,11-13,15H2/t17-/m1/s1
InChIKeyQFPBCKFOZSBVFC-QGZVFWFLSA-N
MW378.43 g/mol
LogP2.08
Rot. Bonds4

About 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100755061) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100755061
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C21H22N4O3/c22-14-18-19(24-10-9-23-18)28-17-6-11-25(15-17)20(26)21(7-12-27-13-8-21)16-4-2-1-3-5-16/h1-5,9-10,17H,6-8,11-13,15H2/t17-/m1/s1
InChIKeyQFPBCKFOZSBVFC-QGZVFWFLSA-N
XLogP2.08
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
3-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636451
3-[(3R)-1-[(2R)-2-phenylbutanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754753
3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636556
3-[1-(5-phenylpentanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636668
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(isoquinoline-1-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626816
3-[(3S)-1-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754859

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 100755061) is 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1.
What is the InChIKey of 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is QFPBCKFOZSBVFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-14-18-19(24-10-9-23-18)28-17-6-11-25(15-17)20(26)21(7-12-27-13-8-21)16-4-2-1-3-5-16/h1-5,9-10,17H,6-8,11-13,15H2/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 378.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100755061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).