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

C25H19F2N3O4 — CID 59165938

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)CNC2=O
InChIInChI=1S/C25H19F2N3O4/c1-13-2-7-20(29-21(13)14-3-5-17-15(10-14)12-28-22(17)31)30-23(32)24(8-9-24)16-4-6-18-19(11-16)34-25(26,27)33-18/h2-7,10-11H,8-9,12H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyFKOJZQVNCIMTKX-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.29
Rot. Bonds4

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

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59165938) has the molecular formula C25H19F2N3O4 and a molecular weight of 463.44 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59165938
Molecular FormulaC25H19F2N3O4
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)CNC2=O
InChIInChI=1S/C25H19F2N3O4/c1-13-2-7-20(29-21(13)14-3-5-17-15(10-14)12-28-22(17)31)30-23(32)24(8-9-24)16-4-6-18-19(11-16)34-25(26,27)33-18/h2-7,10-11H,8-9,12H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyFKOJZQVNCIMTKX-UHFFFAOYSA-N
XLogP4.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 59165938) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)CNC2=O.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is FKOJZQVNCIMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O4/c1-13-2-7-20(29-21(13)14-3-5-17-15(10-14)12-28-22(17)31)30-23(32)24(8-9-24)16-4-6-18-19(11-16)34-25(26,27)33-18/h2-7,10-11H,8-9,12H2,1H3,(H,28,31)(H,29,30,32).
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.29, 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-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59165938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).