5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one

C22H21N3O2 — CID 167948941

IUPAC5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(NCc3cccc(Oc4ccccn4)c3)c2)N1
InChIInChI=1S/C22H21N3O2/c26-21-11-10-20(25-21)17-6-4-7-18(14-17)24-15-16-5-3-8-19(13-16)27-22-9-1-2-12-23-22/h1-9,12-14,20,24H,10-11,15H2,(H,25,26)
InChIKeyVFAOQFLUWQSHKX-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.44
Rot. Bonds6

About 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one

5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 167948941) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID167948941
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(NCc3cccc(Oc4ccccn4)c3)c2)N1
InChIInChI=1S/C22H21N3O2/c26-21-11-10-20(25-21)17-6-4-7-18(14-17)24-15-16-5-3-8-19(13-16)27-22-9-1-2-12-23-22/h1-9,12-14,20,24H,10-11,15H2,(H,25,26)
InChIKeyVFAOQFLUWQSHKX-UHFFFAOYSA-N
XLogP4.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-pyridin-2-yloxyphenyl)-3-[3-(5-oxopyrrolidin-2-yl)phenyl]urea
CID 167852106
5-[3-(5-phenoxypentylamino)phenyl]pyrrolidin-2-one
CID 167864615
5-[3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]pyrrolidin-2-one
CID 167950434
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
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CID 75518345
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
7,8-dimethyl-2-(3-pyridin-2-yloxyphenyl)-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 157336217
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
5-[3-[(4-bromo-1-methylpyrazol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 146104611
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238
5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 138019125

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one (CID 167948941) is 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one is O=C1CCC(c2cccc(NCc3cccc(Oc4ccccn4)c3)c2)N1.
What is the InChIKey of 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is VFAOQFLUWQSHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21-11-10-20(25-21)17-6-4-7-18(14-17)24-15-16-5-3-8-19(13-16)27-22-9-1-2-12-23-22/h1-9,12-14,20,24H,10-11,15H2,(H,25,26).
What are the key properties of 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one?
5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-pyridin-2-yloxyphenyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167948941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).