N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C21H15F3N2O4 — CID 155464882

About N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464882) has the molecular formula C21H15F3N2O4 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 155464882
• Molecular Formula: C21H15F3N2O4
• Molecular Weight: 416.36 g/mol
• Exact Mass: 416.10
• IUPAC Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: O=C(NC(c1ccccc1)c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)[nH]c1=O
• InChI: InChI=1S/C21H15F3N2O4/c22-21(23,24)17-9-7-14(19(27)25-17)20(28)26-18(12-4-2-1-3-5-12)13-6-8-15-16(10-13)30-11-29-15/h1-10,18H,11H2,(H,25,27)(H,26,28)
• InChIKey: YMGHFRZXLXVEQY-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.36
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464882) is N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)[nH]c1=O.

What is the InChIKey of N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is YMGHFRZXLXVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4/c22-21(23,24)17-9-7-14(19(27)25-17)20(28)26-18(12-4-2-1-3-5-12)13-6-8-15-16(10-13)30-11-29-15/h1-10,18H,11H2,(H,25,27)(H,26,28).

What are the key properties of N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).