4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one

C24H20F2N2O4 — CID 157335150

About 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one

4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one (PubChem CID 157335150) has the molecular formula C24H20F2N2O4 and a molecular weight of 438.43 g/mol. Its IUPAC name is 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one
• PubChem CID: 157335150
• Molecular Formula: C24H20F2N2O4
• Molecular Weight: 438.43 g/mol
• Exact Mass: 438.14
• IUPAC Name: 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one
• SMILES: Cc1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc(=O)[nH]1
• InChI: InChI=1S/C24H20F2N2O4/c1-13-3-5-17(28-22(13)15-9-14(2)27-21(30)10-15)12-20(29)23(7-8-23)16-4-6-18-19(11-16)32-24(25,26)31-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,30)
• InChIKey: WNUMBMNYRKFNBX-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 81.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.43
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one?

The IUPAC name of 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one (CID 157335150) is 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one.

What is the SMILES notation for 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one?

The canonical SMILES for 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one is Cc1cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc(=O)[nH]1.

What is the InChIKey of 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one?

The InChIKey is WNUMBMNYRKFNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4/c1-13-3-5-17(28-22(13)15-9-14(2)27-21(30)10-15)12-20(29)23(7-8-23)16-4-6-18-19(11-16)32-24(25,26)31-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,30).

What are the key properties of 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one?

4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 438.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 157335150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).