5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one

C25H26N2O3 — CID 69082504

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-17-14-21(24-22(29-2)11-7-12-23(24)30-3)27(25(17)28)16-18-8-6-9-19(15-18)20-10-4-5-13-26-20/h4-13,15,17,21H,14,16H2,1-3H3
InChIKeyCVXVRZJHVRQGII-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.88
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 69082504) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID69082504
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H26N2O3/c1-17-14-21(24-22(29-2)11-7-12-23(24)30-3)27(25(17)28)16-18-8-6-9-19(15-18)20-10-4-5-13-26-20/h4-13,15,17,21H,14,16H2,1-3H3
InChIKeyCVXVRZJHVRQGII-UHFFFAOYSA-N
XLogP4.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one (CID 69082504) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is CVXVRZJHVRQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-14-21(24-22(29-2)11-7-12-23(24)30-3)27(25(17)28)16-18-8-6-9-19(15-18)20-10-4-5-13-26-20/h4-13,15,17,21H,14,16H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 402.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69082504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).