4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C25H28N2O4 — CID 53324076

IUPAC4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCOc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
InChIKeyZITSWKKGCZZGDB-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.90
Rot. Bonds9

About 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 53324076) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID53324076
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCOc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3
InChIKeyZITSWKKGCZZGDB-UHFFFAOYSA-N
XLogP3.90
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 58964911
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
CID 58964977
4-phenylmethoxy-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyridin-2-one
CID 58964959
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 25055556
1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;hydrochloride
CID 69096505
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[5-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;dihydrochloride
CID 68657490
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 53324076) is 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is ZITSWKKGCZZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-22-8-4-20(5-9-22)19-31-24-12-15-27(25(28)18-24)21-6-10-23(11-7-21)30-17-16-26-13-2-3-14-26/h4-12,15,18H,2-3,13-14,16-17,19H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 53324076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).