1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one

C23H23N3O3 — CID 10000407

IUPAC1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C23H23N3O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20/h2-11,13,17H,12,14-15,24H2,1H3
InChIKeyNABYRPMWOFHKBS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.77
Rot. Bonds6

About 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one

1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one (PubChem CID 10000407) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one
PubChem CID10000407
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1
InChIInChI=1S/C23H23N3O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20/h2-11,13,17H,12,14-15,24H2,1H3
InChIKeyNABYRPMWOFHKBS-UHFFFAOYSA-N
XLogP3.77
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tirbanibulin
CID 23635314
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-pyridyl)pyrrolidin-2-one
CID 15958397
2-(3,4-dimethoxyphenyl)-N-[4-(1H-pyrrol-1-yl)benzyl]acetamide
CID 5300696
2-Cycloheptyl-5-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-4,4-dimethylpyrazol-3-one
CID 71453524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
3-(3-Cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44352934
1-Butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353102
1-Acetyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353103
1-(Cyclohexylmethyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353113
3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(3-methylbutyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353114
3-(3-Cyclopentyloxy-4-methoxyphenyl)-1,3-bis(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353125
1-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44353133

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one (CID 10000407) is 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one is COc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1ccccn1.
What is the InChIKey of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is NABYRPMWOFHKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-21-9-8-16(11-22(21)29-15-19-6-2-3-10-25-19)17-12-23(27)26(14-17)20-7-4-5-18(24)13-20/h2-11,13,17H,12,14-15,24H2,1H3.
What are the key properties of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one?
1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10000407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).