4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C26H30N2O3 — CID 58964911

IUPAC4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCc1ccc(OCc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1C
InChIInChI=1S/C26H30N2O3/c1-20-5-8-25(17-21(20)2)31-19-22-11-14-28(26(29)18-22)23-6-9-24(10-7-23)30-16-15-27-12-3-4-13-27/h5-11,14,17-18H,3-4,12-13,15-16,19H2,1-2H3
InChIKeyRPTIDNFYZWEZQM-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.51
Rot. Bonds8

About 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 58964911) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID58964911
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESCc1ccc(OCc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1C
InChIInChI=1S/C26H30N2O3/c1-20-5-8-25(17-21(20)2)31-19-22-11-14-28(26(29)18-22)23-6-9-24(10-7-23)30-16-15-27-12-3-4-13-27/h5-11,14,17-18H,3-4,12-13,15-16,19H2,1-2H3
InChIKeyRPTIDNFYZWEZQM-UHFFFAOYSA-N
XLogP4.51
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-[[4-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
CID 58964977
4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53324076
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
CID 91088883
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
4-phenylmethoxy-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyridin-2-one
CID 58964959
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
2-(5-amino-2-methylphenyl)-7-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 25178486
3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
CID 174703613
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 58964911) is 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is Cc1ccc(OCc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is RPTIDNFYZWEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-20-5-8-25(17-21(20)2)31-19-22-11-14-28(26(29)18-22)23-6-9-24(10-7-23)30-16-15-27-12-3-4-13-27/h5-11,14,17-18H,3-4,12-13,15-16,19H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 58964911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).