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

C29H35FN2O2 — CID 45487283

IUPAC1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1
InChIInChI=1S/C29H35FN2O2/c1-2-17-32(27-5-3-4-6-27)21-24-9-7-23(8-10-24)15-18-31-19-16-28(20-29(31)33)34-22-25-11-13-26(30)14-12-25/h7-14,16,19-20,27H,2-6,15,17-18,21-22H2,1H3
InChIKeyBOARZXXEVHEYOO-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.96
Rot. Bonds11

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

1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 45487283) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID45487283
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1
InChIInChI=1S/C29H35FN2O2/c1-2-17-32(27-5-3-4-6-27)21-24-9-7-23(8-10-24)15-18-31-19-16-28(20-29(31)33)34-22-25-11-13-26(30)14-12-25/h7-14,16,19-20,27H,2-6,15,17-18,21-22H2,1H3
InChIKeyBOARZXXEVHEYOO-UHFFFAOYSA-N
XLogP5.96
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 45487283) is 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1.
What is the InChIKey of 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is BOARZXXEVHEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O2/c1-2-17-32(27-5-3-4-6-27)21-24-9-7-23(8-10-24)15-18-31-19-16-28(20-29(31)33)34-22-25-11-13-26(30)14-12-25/h7-14,16,19-20,27H,2-6,15,17-18,21-22H2,1H3.
What are the key properties of 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 462.61 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[cyclopentyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 45487283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).