2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide

C24H26F2IN3O2 — CID 174308306

IUPAC2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide
SMILESO=C(Nc1cccn(C2CCC(F)(F)CC2)c1=O)c1ccc(I)cc1N1CCC2CCC21
InChIInChI=1S/C24H26F2IN3O2/c25-24(26)10-7-17(8-11-24)29-12-1-2-19(23(29)32)28-22(31)18-5-4-16(27)14-21(18)30-13-9-15-3-6-20(15)30/h1-2,4-5,12,14-15,17,20H,3,6-11,13H2,(H,28,31)
InChIKeyQIYSEMOLZMCUHL-UHFFFAOYSA-N
MW553.39 g/mol
LogP5.44
Rot. Bonds4

About 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide

2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide (PubChem CID 174308306) has the molecular formula C24H26F2IN3O2 and a molecular weight of 553.39 g/mol. Its IUPAC name is 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide.

Molecular Properties

Compound Name2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide
PubChem CID174308306
Molecular FormulaC24H26F2IN3O2
Molecular Weight553.39 g/mol
Exact Mass553.10
IUPAC Name2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide
SMILESO=C(Nc1cccn(C2CCC(F)(F)CC2)c1=O)c1ccc(I)cc1N1CCC2CCC21
InChIInChI=1S/C24H26F2IN3O2/c25-24(26)10-7-17(8-11-24)29-12-1-2-19(23(29)32)28-22(31)18-5-4-16(27)14-21(18)30-13-9-15-3-6-20(15)30/h1-2,4-5,12,14-15,17,20H,3,6-11,13H2,(H,28,31)
InChIKeyQIYSEMOLZMCUHL-UHFFFAOYSA-N
XLogP5.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide?
The IUPAC name of 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide (CID 174308306) is 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide.
What is the SMILES notation for 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide?
The canonical SMILES for 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide is O=C(Nc1cccn(C2CCC(F)(F)CC2)c1=O)c1ccc(I)cc1N1CCC2CCC21.
What is the InChIKey of 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide?
The InChIKey is QIYSEMOLZMCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2IN3O2/c25-24(26)10-7-17(8-11-24)29-12-1-2-19(23(29)32)28-22(31)18-5-4-16(27)14-21(18)30-13-9-15-3-6-20(15)30/h1-2,4-5,12,14-15,17,20H,3,6-11,13H2,(H,28,31).
What are the key properties of 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide?
2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide has a molecular weight of 553.39 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[3.2.0]heptan-2-yl)-N-[1-(4,4-difluorocyclohexyl)-2-oxo-3-pyridinyl]-4-iodobenzamide is sourced from PubChem (CID 174308306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).