N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide

C25H18FN3O2 — CID 134142008

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2F)ccn1
InChIInChI=1S/C25H18FN3O2/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(30)18-6-7-20-19-4-2-3-5-22(19)31-23(20)12-18/h2-13H,14H2,1H3,(H,29,30)
InChIKeyJMWKQIKOIQORME-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.42
Rot. Bonds4

About N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide (PubChem CID 134142008) has the molecular formula C25H18FN3O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
PubChem CID134142008
Molecular FormulaC25H18FN3O2
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2F)ccn1
InChIInChI=1S/C25H18FN3O2/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(30)18-6-7-20-19-4-2-3-5-22(19)31-23(20)12-18/h2-13H,14H2,1H3,(H,29,30)
InChIKeyJMWKQIKOIQORME-UHFFFAOYSA-N
XLogP5.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide (CID 134142008) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)oc3ccccc34)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide?
The InChIKey is JMWKQIKOIQORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2/c1-15-10-17(8-9-27-15)24-21(26)11-16(13-28-24)14-29-25(30)18-6-7-20-19-4-2-3-5-22(19)31-23(20)12-18/h2-13H,14H2,1H3,(H,29,30).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide is sourced from PubChem (CID 134142008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).