4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one

C32H35FN2O3 — CID 123530622

IUPAC4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCCCc1ccc(N(CCC(C)c2ccc(F)cc2)c2cc(O)n(Cc3ccc(OC)cc3)c(=O)c2)cc1
InChIInChI=1S/C32H35FN2O3/c1-4-5-24-6-14-28(15-7-24)34(19-18-23(2)26-10-12-27(33)13-11-26)29-20-31(36)35(32(37)21-29)22-25-8-16-30(38-3)17-9-25/h6-17,20-21,23,36H,4-5,18-19,22H2,1-3H3
InChIKeyXUOLTOLBVRHCMC-UHFFFAOYSA-N
MW514.64 g/mol
LogP7.03
Rot. Bonds11

About 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one

4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 123530622) has the molecular formula C32H35FN2O3 and a molecular weight of 514.64 g/mol. Its IUPAC name is 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
PubChem CID123530622
Molecular FormulaC32H35FN2O3
Molecular Weight514.64 g/mol
Exact Mass514.26
IUPAC Name4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCCCc1ccc(N(CCC(C)c2ccc(F)cc2)c2cc(O)n(Cc3ccc(OC)cc3)c(=O)c2)cc1
InChIInChI=1S/C32H35FN2O3/c1-4-5-24-6-14-28(15-7-24)34(19-18-23(2)26-10-12-27(33)13-11-26)29-20-31(36)35(32(37)21-29)22-25-8-16-30(38-3)17-9-25/h6-17,20-21,23,36H,4-5,18-19,22H2,1-3H3
InChIKeyXUOLTOLBVRHCMC-UHFFFAOYSA-N
XLogP7.03
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one (CID 123530622) is 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one is CCCc1ccc(N(CCC(C)c2ccc(F)cc2)c2cc(O)n(Cc3ccc(OC)cc3)c(=O)c2)cc1.
What is the InChIKey of 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is XUOLTOLBVRHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN2O3/c1-4-5-24-6-14-28(15-7-24)34(19-18-23(2)26-10-12-27(33)13-11-26)29-20-31(36)35(32(37)21-29)22-25-8-16-30(38-3)17-9-25/h6-17,20-21,23,36H,4-5,18-19,22H2,1-3H3.
What are the key properties of 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 514.64 g/mol, XLogP of 7.03, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[3-(4-fluorophenyl)butyl]-4-propylanilino]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 123530622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).