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

C26H31FN2O2 — CID 45487284

IUPAC1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C26H31FN2O2/c1-3-15-28(4-2)19-22-7-5-21(6-8-22)13-16-29-17-14-25(18-26(29)30)31-20-23-9-11-24(27)12-10-23/h5-12,14,17-18H,3-4,13,15-16,19-20H2,1-2H3
InChIKeyGENDZOSEUQAVRG-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.04
Rot. Bonds11

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

1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 45487284) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID45487284
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C26H31FN2O2/c1-3-15-28(4-2)19-22-7-5-21(6-8-22)13-16-29-17-14-25(18-26(29)30)31-20-23-9-11-24(27)12-10-23/h5-12,14,17-18H,3-4,13,15-16,19-20H2,1-2H3
InChIKeyGENDZOSEUQAVRG-UHFFFAOYSA-N
XLogP5.04
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 45487284) is 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is GENDZOSEUQAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-3-15-28(4-2)19-22-7-5-21(6-8-22)13-16-29-17-14-25(18-26(29)30)31-20-23-9-11-24(27)12-10-23/h5-12,14,17-18H,3-4,13,15-16,19-20H2,1-2H3.
What are the key properties of 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 422.54 g/mol, XLogP of 5.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[ethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 45487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).