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

C23H23N3O3 — CID 10452929

IUPAC1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1cccnc1
InChIInChI=1S/C23H23N3O3/c1-28-21-8-7-17(10-22(21)29-15-16-4-3-9-25-13-16)18-11-23(27)26(14-18)20-6-2-5-19(24)12-20/h2-10,12-13,18H,11,14-15,24H2,1H3
InChIKeyKQUIFHYIZWHBMV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.77
Rot. Bonds6

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

1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one (PubChem CID 10452929) 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-3-ylmethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
PubChem CID10452929
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1cccnc1
InChIInChI=1S/C23H23N3O3/c1-28-21-8-7-17(10-22(21)29-15-16-4-3-9-25-13-16)18-11-23(27)26(14-18)20-6-2-5-19(24)12-20/h2-10,12-13,18H,11,14-15,24H2,1H3
InChIKeyKQUIFHYIZWHBMV-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'}

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Related Compounds

(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(4-pyridyl)pyrrolidin-2-one
CID 15958397
methyl 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3238697
2-(3,4-dimethoxyphenyl)-N-[4-(1H-pyrrol-1-yl)benzyl]acetamide
CID 5300696
3-cyclopentyloxy-4-methoxy-N-pyridin-4-yl-benzamide
CID 10041213
3'',4''-Dimethoxy-biphenyl-4-carboxylic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14570089
Propan-2-yl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352901
Methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352916
3-(3-Cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 44352934
Tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 44352955
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one (CID 10452929) is 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one is COc1ccc(C2CC(=O)N(c3cccc(N)c3)C2)cc1OCc1cccnc1.
What is the InChIKey of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is KQUIFHYIZWHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-21-8-7-17(10-22(21)29-15-16-4-3-9-25-13-16)18-11-23(27)26(14-18)20-6-2-5-19(24)12-20/h2-10,12-13,18H,11,14-15,24H2,1H3.
What are the key properties of 1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidin-2-one?
1-(3-aminophenyl)-4-[4-methoxy-3-(pyridin-3-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-3-ylmethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10452929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).