methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate

C23H19FN2O6 — CID 10225108

IUPACmethyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1
InChIInChI=1S/C23H19FN2O6/c1-29-21(27)10-14-4-5-15(18(24)9-14)12-26-22(28)17-3-2-8-25-23(17)32-16-6-7-19-20(11-16)31-13-30-19/h2-9,11H,10,12-13H2,1H3,(H,26,28)
InChIKeyNCNVYXZLTHAQEF-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.39
Rot. Bonds7

About methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate

methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate (PubChem CID 10225108) has the molecular formula C23H19FN2O6 and a molecular weight of 438.41 g/mol. Its IUPAC name is methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate
PubChem CID10225108
Molecular FormulaC23H19FN2O6
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Namemethyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1
InChIInChI=1S/C23H19FN2O6/c1-29-21(27)10-14-4-5-15(18(24)9-14)12-26-22(28)17-3-2-8-25-23(17)32-16-6-7-19-20(11-16)31-13-30-19/h2-9,11H,10,12-13H2,1H3,(H,26,28)
InChIKeyNCNVYXZLTHAQEF-UHFFFAOYSA-N
XLogP3.39
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate?
The IUPAC name of methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate (CID 10225108) is methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate is COC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1.
What is the InChIKey of methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate?
The InChIKey is NCNVYXZLTHAQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O6/c1-29-21(27)10-14-4-5-15(18(24)9-14)12-26-22(28)17-3-2-8-25-23(17)32-16-6-7-19-20(11-16)31-13-30-19/h2-9,11H,10,12-13H2,1H3,(H,26,28).
What are the key properties of methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate?
methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate has a molecular weight of 438.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenyl]acetate is sourced from PubChem (CID 10225108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).