4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one

C27H33FN2O3 — CID 45487331

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(CCOC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C27H33FN2O3/c1-3-14-29(17-18-32-2)20-23-6-4-22(5-7-23)12-15-30-16-13-26(19-27(30)31)33-21-24-8-10-25(28)11-9-24/h4-11,13,16,19H,3,12,14-15,17-18,20-21H2,1-2H3
InChIKeyZEZPCEMQMYMPCL-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.67
Rot. Bonds13

About 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (PubChem CID 45487331) has the molecular formula C27H33FN2O3 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
PubChem CID45487331
Molecular FormulaC27H33FN2O3
Molecular Weight452.57 g/mol
Exact Mass452.25
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(CCOC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C27H33FN2O3/c1-3-14-29(17-18-32-2)20-23-6-4-22(5-7-23)12-15-30-16-13-26(19-27(30)31)33-21-24-8-10-25(28)11-9-24/h4-11,13,16,19H,3,12,14-15,17-18,20-21H2,1-2H3
InChIKeyZEZPCEMQMYMPCL-UHFFFAOYSA-N
XLogP4.67
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (CID 45487331) is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is CCCN(CCOC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The InChIKey is ZEZPCEMQMYMPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O3/c1-3-14-29(17-18-32-2)20-23-6-4-22(5-7-23)12-15-30-16-13-26(19-27(30)31)33-21-24-8-10-25(28)11-9-24/h4-11,13,16,19H,3,12,14-15,17-18,20-21H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one has a molecular weight of 452.57 g/mol, XLogP of 4.67, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 45487331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).