1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C23H19F2N3O4 — CID 25058825

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 25058825) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 25058825
• Molecular Formula: C23H19F2N3O4
• Molecular Weight: 439.42 g/mol
• Exact Mass: 439.13
• IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide
• SMILES: Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cnc1-c1c[nH]c(=O)c(C)c1
• InChI: InChI=1S/C23H19F2N3O4/c1-12-8-16(11-26-19(12)14-7-13(2)20(29)27-10-14)28-21(30)22(5-6-22)15-3-4-17-18(9-15)32-23(24,25)31-17/h3-4,7-11H,5-6H2,1-2H3,(H,27,29)(H,28,30)
• InChIKey: JAOCYIQEGURRAW-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 93.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.42
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 25058825) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cnc1-c1c[nH]c(=O)c(C)c1.

What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is JAOCYIQEGURRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-12-8-16(11-26-19(12)14-7-13(2)20(29)27-10-14)28-21(30)22(5-6-22)15-3-4-17-18(9-15)32-23(24,25)31-17/h3-4,7-11H,5-6H2,1-2H3,(H,27,29)(H,28,30).

What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide?

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25058825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).