4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one

C23H25FN2O3 — CID 45487392

IUPAC4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one
SMILESCCCNCc1ccc(COn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C23H25FN2O3/c1-2-12-25-15-18-3-5-20(6-4-18)17-29-26-13-11-22(14-23(26)27)28-16-19-7-9-21(24)10-8-19/h3-11,13-14,25H,2,12,15-17H2,1H3
InChIKeyYZPSVVRAVSZNGU-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.69
Rot. Bonds10

About 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one (PubChem CID 45487392) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one
PubChem CID45487392
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one
SMILESCCCNCc1ccc(COn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C23H25FN2O3/c1-2-12-25-15-18-3-5-20(6-4-18)17-29-26-13-11-22(14-23(26)27)28-16-19-7-9-21(24)10-8-19/h3-11,13-14,25H,2,12,15-17H2,1H3
InChIKeyYZPSVVRAVSZNGU-UHFFFAOYSA-N
XLogP3.69
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one (CID 45487392) is 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one is CCCNCc1ccc(COn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one?
The InChIKey is YZPSVVRAVSZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-2-12-25-15-18-3-5-20(6-4-18)17-29-26-13-11-22(14-23(26)27)28-16-19-7-9-21(24)10-8-19/h3-11,13-14,25H,2,12,15-17H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one is sourced from PubChem (CID 45487392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).