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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Related Compounds

CID 9955578
CID 9955578
CID 124160646
CID 124160646
CID 57399521
CID 57399521
CID 135184899
CID 135184899
CID 135184908
CID 135184908
CID 135184938
CID 135184938
CID 135184946
CID 135184946
CID 135184968
CID 135184968
CID 135184970
CID 135184970
CID 135185001
CID 135185001
CID 10161305
CID 10161305
CID 2811303
CID 2811303

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).