1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide

C23H20F2N2O5 — CID 1478512

IUPAC1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cccn(Cc3ccc4c(c3)OC(F)(F)O4)c2=O)c1
InChIInChI=1S/C23H20F2N2O5/c1-14(2)30-17-6-3-5-16(12-17)26-21(28)18-7-4-10-27(22(18)29)13-15-8-9-19-20(11-15)32-23(24,25)31-19/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyYJVOPYAWBGDKJV-UHFFFAOYSA-N
MW442.42 g/mol
LogP4.26
Rot. Bonds6

About 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide

1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 1478512) has the molecular formula C23H20F2N2O5 and a molecular weight of 442.42 g/mol. Its IUPAC name is 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID1478512
Molecular FormulaC23H20F2N2O5
Molecular Weight442.42 g/mol
Exact Mass442.13
IUPAC Name1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cccn(Cc3ccc4c(c3)OC(F)(F)O4)c2=O)c1
InChIInChI=1S/C23H20F2N2O5/c1-14(2)30-17-6-3-5-16(12-17)26-21(28)18-7-4-10-27(22(18)29)13-15-8-9-19-20(11-15)32-23(24,25)31-19/h3-12,14H,13H2,1-2H3,(H,26,28)
InChIKeyYJVOPYAWBGDKJV-UHFFFAOYSA-N
XLogP4.26
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 1478512) is 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1cccc(NC(=O)c2cccn(Cc3ccc4c(c3)OC(F)(F)O4)c2=O)c1.
What is the InChIKey of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is YJVOPYAWBGDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O5/c1-14(2)30-17-6-3-5-16(12-17)26-21(28)18-7-4-10-27(22(18)29)13-15-8-9-19-20(11-15)32-23(24,25)31-19/h3-12,14H,13H2,1-2H3,(H,26,28).
What are the key properties of 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide?
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(3-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1478512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).