2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide

C20H14F2N2O5 — CID 22610174

IUPAC2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C20H14F2N2O5/c21-12-5-15(19(26)23-8-11-1-2-13(25)6-16(11)22)20(24-9-12)29-14-3-4-17-18(7-14)28-10-27-17/h1-7,9,25H,8,10H2,(H,23,26)
InChIKeyZYMSHVNZISNJOA-UHFFFAOYSA-N
MW400.34 g/mol
LogP3.52
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide

2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 22610174) has the molecular formula C20H14F2N2O5 and a molecular weight of 400.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID22610174
Molecular FormulaC20H14F2N2O5
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C20H14F2N2O5/c21-12-5-15(19(26)23-8-11-1-2-13(25)6-16(11)22)20(24-9-12)29-14-3-4-17-18(7-14)28-10-27-17/h1-7,9,25H,8,10H2,(H,23,26)
InChIKeyZYMSHVNZISNJOA-UHFFFAOYSA-N
XLogP3.52
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide 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 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide (CID 22610174) is 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(O)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZYMSHVNZISNJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O5/c21-12-5-15(19(26)23-8-11-1-2-13(25)6-16(11)22)20(24-9-12)29-14-3-4-17-18(7-14)28-10-27-17/h1-7,9,25H,8,10H2,(H,23,26).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide?
2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 400.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22610174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).