3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C20H18ClN5O3 — CID 90636596

IUPAC3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C20H18ClN5O3/c21-14-1-3-15(4-2-14)26-11-13(9-18(26)27)20(28)25-8-5-16(12-25)29-19-17(10-22)23-6-7-24-19/h1-4,6-7,13,16H,5,8-9,11-12H2
InChIKeyPVEFPBVNSJFNJE-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.03
Rot. Bonds4

About 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 90636596) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID90636596
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC Name3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C20H18ClN5O3/c21-14-1-3-15(4-2-14)26-11-13(9-18(26)27)20(28)25-8-5-16(12-25)29-19-17(10-22)23-6-7-24-19/h1-4,6-7,13,16H,5,8-9,11-12H2
InChIKeyPVEFPBVNSJFNJE-UHFFFAOYSA-N
XLogP2.03
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 97416743
3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628066
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
4-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 122259392
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 90636596) is 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is PVEFPBVNSJFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c21-14-1-3-15(4-2-14)26-11-13(9-18(26)27)20(28)25-8-5-16(12-25)29-19-17(10-22)23-6-7-24-19/h1-4,6-7,13,16H,5,8-9,11-12H2.
What are the key properties of 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 411.85 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).