N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide

C23H21FN2O6 — CID 16853801

About N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide (PubChem CID 16853801) has the molecular formula C23H21FN2O6 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
• PubChem CID: 16853801
• Molecular Formula: C23H21FN2O6
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.14
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
• SMILES: O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C23H21FN2O6/c24-18-4-2-1-3-16(18)13-30-22-10-26(17(12-27)8-19(22)28)11-23(29)25-9-15-5-6-20-21(7-15)32-14-31-20/h1-8,10,27H,9,11-14H2,(H,25,29)
• InChIKey: JVVYVBDYBBTVJJ-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 99.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide (CID 16853801) is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide is O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCc1ccc2c(c1)OCO2.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?

The InChIKey is JVVYVBDYBBTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O6/c24-18-4-2-1-3-16(18)13-30-22-10-26(17(12-27)8-19(22)28)11-23(29)25-9-15-5-6-20-21(7-15)32-14-31-20/h1-8,10,27H,9,11-14H2,(H,25,29).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide has a molecular weight of 440.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16853801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).