1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

C22H26N4O4 — CID 90636988

IUPAC1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)C1
InChIInChI=1S/C22H26N4O4/c1-14-4-5-17(10-15(14)2)26-12-16(11-19(26)27)22(28)25-9-6-18(13-25)30-21-20(29-3)23-7-8-24-21/h4-5,7-8,10,16,18H,6,9,11-13H2,1-3H3
InChIKeyXOKGZFVHCDDSNL-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.13
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90636988) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90636988
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)C1
InChIInChI=1S/C22H26N4O4/c1-14-4-5-17(10-15(14)2)26-12-16(11-19(26)27)22(28)25-9-6-18(13-25)30-21-20(29-3)23-7-8-24-21/h4-5,7-8,10,16,18H,6,9,11-13H2,1-3H3
InChIKeyXOKGZFVHCDDSNL-UHFFFAOYSA-N
XLogP2.13
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 119105504
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636596
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 90636988) is 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1nccnc1OC1CCN(C(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XOKGZFVHCDDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14-4-5-17(10-15(14)2)26-12-16(11-19(26)27)22(28)25-9-6-18(13-25)30-21-20(29-3)23-7-8-24-21/h4-5,7-8,10,16,18H,6,9,11-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 410.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90636988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).