2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide

C23H19FN6O5 — CID 10116557

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C23H19FN6O5/c1-13(21-27-29-30-28-21)34-15-5-4-14(18(24)9-15)11-26-22(31)17-3-2-8-25-23(17)35-16-6-7-19-20(10-16)33-12-32-19/h2-10,13H,11-12H2,1H3,(H,26,31)(H,27,28,29,30)
InChIKeyGFKOKSSPMFVZPQ-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.32
Rot. Bonds8

About 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide

2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 10116557) has the molecular formula C23H19FN6O5 and a molecular weight of 478.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID10116557
Molecular FormulaC23H19FN6O5
Molecular Weight478.44 g/mol
Exact Mass478.14
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C23H19FN6O5/c1-13(21-27-29-30-28-21)34-15-5-4-14(18(24)9-15)11-26-22(31)17-3-2-8-25-23(17)35-16-6-7-19-20(10-16)33-12-32-19/h2-10,13H,11-12H2,1H3,(H,26,31)(H,27,28,29,30)
InChIKeyGFKOKSSPMFVZPQ-UHFFFAOYSA-N
XLogP3.32
TPSA133.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide (CID 10116557) is 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide is CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)c1nn[nH]n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GFKOKSSPMFVZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O5/c1-13(21-27-29-30-28-21)34-15-5-4-14(18(24)9-15)11-26-22(31)17-3-2-8-25-23(17)35-16-6-7-19-20(10-16)33-12-32-19/h2-10,13H,11-12H2,1H3,(H,26,31)(H,27,28,29,30).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide?
2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 478.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 10116557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).