4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one

C22H20F2N2O3 — CID 121446938

IUPAC4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)cc[nH]1
InChIInChI=1S/C22H20F2N2O3/c23-18-11-15(17-6-3-8-26-22(17)29-16-4-1-2-5-16)12-19(24)21(18)28-13-14-7-9-25-20(27)10-14/h3,6-12,16H,1-2,4-5,13H2,(H,25,27)
InChIKeyJIIKMPTZOOIQFG-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.62
Rot. Bonds6

About 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one

4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one (PubChem CID 121446938) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one
PubChem CID121446938
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)cc[nH]1
InChIInChI=1S/C22H20F2N2O3/c23-18-11-15(17-6-3-8-26-22(17)29-16-4-1-2-5-16)12-19(24)21(18)28-13-14-7-9-25-20(27)10-14/h3,6-12,16H,1-2,4-5,13H2,(H,25,27)
InChIKeyJIIKMPTZOOIQFG-UHFFFAOYSA-N
XLogP4.62
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one (CID 121446938) is 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one is O=c1cc(COc2c(F)cc(-c3cccnc3OC3CCCC3)cc2F)cc[nH]1.
What is the InChIKey of 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one?
The InChIKey is JIIKMPTZOOIQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c23-18-11-15(17-6-3-8-26-22(17)29-16-4-1-2-5-16)12-19(24)21(18)28-13-14-7-9-25-20(27)10-14/h3,6-12,16H,1-2,4-5,13H2,(H,25,27).
What are the key properties of 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one?
4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one has a molecular weight of 398.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 121446938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).