4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one

C23H26FN3O2 — CID 45487384

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one
SMILESCCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
InChIInChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
InChIKeyONUBXRCAOBQBRS-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.70
Rot. Bonds10

About 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one (PubChem CID 45487384) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one
PubChem CID45487384
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one
SMILESCCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
InChIInChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3
InChIKeyONUBXRCAOBQBRS-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one (CID 45487384) is 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one is CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one?
The InChIKey is ONUBXRCAOBQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-11-25-15-19-5-8-21(26-16-19)9-12-27-13-10-22(14-23(27)28)29-17-18-3-6-20(24)7-4-18/h3-8,10,13-14,16,25H,2,9,11-12,15,17H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.70, 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-[2-[5-(propylaminomethyl)-2-pyridinyl]ethyl]pyridin-2-one is sourced from PubChem (CID 45487384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).