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

C26H19F2N3O5 — CID 10163497

IUPAC2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C26H19F2N3O5/c27-17-9-21(26(31-13-17)36-20-6-7-23-24(11-20)35-15-34-23)25(32)30-12-16-4-5-19(10-22(16)28)33-14-18-3-1-2-8-29-18/h1-11,13H,12,14-15H2,(H,30,32)
InChIKeyNLXVLELHYONUNU-UHFFFAOYSA-N
MW491.45 g/mol
LogP4.78
Rot. Bonds8

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

2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 10163497) has the molecular formula C26H19F2N3O5 and a molecular weight of 491.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID10163497
Molecular FormulaC26H19F2N3O5
Molecular Weight491.45 g/mol
Exact Mass491.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C26H19F2N3O5/c27-17-9-21(26(31-13-17)36-20-6-7-23-24(11-20)35-15-34-23)25(32)30-12-16-4-5-19(10-22(16)28)33-14-18-3-1-2-8-29-18/h1-11,13H,12,14-15H2,(H,30,32)
InChIKeyNLXVLELHYONUNU-UHFFFAOYSA-N
XLogP4.78
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 10163497) is 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(OCc2ccccn2)cc1F)c1cc(F)cnc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NLXVLELHYONUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O5/c27-17-9-21(26(31-13-17)36-20-6-7-23-24(11-20)35-15-34-23)25(32)30-12-16-4-5-19(10-22(16)28)33-14-18-3-1-2-8-29-18/h1-11,13H,12,14-15H2,(H,30,32).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 491.45 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-5-fluoro-N-[[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 10163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).