N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide

C22H21FN2O5 — CID 160761354

About N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide

N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide (PubChem CID 160761354) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide
• PubChem CID: 160761354
• Molecular Formula: C22H21FN2O5
• Molecular Weight: 412.42 g/mol
• Exact Mass: 412.14
• IUPAC Name: N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide
• SMILES: CC1(F)Oc2ccc(OCC(=O)CC34CC(NC(=O)c5cccnc5)(C3)C4)cc2O1
• InChI: InChI=1S/C22H21FN2O5/c1-20(23)29-17-5-4-16(7-18(17)30-20)28-10-15(26)8-21-11-22(12-21,13-21)25-19(27)14-3-2-6-24-9-14/h2-7,9H,8,10-13H2,1H3,(H,25,27)
• InChIKey: OZCHNDVPWNNSHD-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide (CID 160761354) is N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide is CC1(F)Oc2ccc(OCC(=O)CC34CC(NC(=O)c5cccnc5)(C3)C4)cc2O1.

What is the InChIKey of N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide?

The InChIKey is OZCHNDVPWNNSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-20(23)29-17-5-4-16(7-18(17)30-20)28-10-15(26)8-21-11-22(12-21,13-21)25-19(27)14-3-2-6-24-9-14/h2-7,9H,8,10-13H2,1H3,(H,25,27).

What are the key properties of N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide?

N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide is sourced from PubChem (CID 160761354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).