N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

C25H16F3N3O3 — CID 162763857

IUPACN-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2cnccc2n1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)14-33-20-7-2-1-5-17(20)18-6-3-4-15-12-21(34-23(15)18)24(32)31-22-9-8-16-13-29-11-10-19(16)30-22/h1-13H,14H2,(H,30,31,32)
InChIKeyWLULQHXOQUZJLL-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.24
Rot. Bonds5

About N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 162763857) has the molecular formula C25H16F3N3O3 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID162763857
Molecular FormulaC25H16F3N3O3
Molecular Weight463.42 g/mol
Exact Mass463.11
IUPAC NameN-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2cnccc2n1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C25H16F3N3O3/c26-25(27,28)14-33-20-7-2-1-5-17(20)18-6-3-4-15-12-21(34-23(15)18)24(32)31-22-9-8-16-13-29-11-10-19(16)30-22/h1-13H,14H2,(H,30,31,32)
InChIKeyWLULQHXOQUZJLL-UHFFFAOYSA-N
XLogP6.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 162763857) is N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc2cnccc2n1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1.
What is the InChIKey of N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WLULQHXOQUZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O3/c26-25(27,28)14-33-20-7-2-1-5-17(20)18-6-3-4-15-12-21(34-23(15)18)24(32)31-22-9-8-16-13-29-11-10-19(16)30-22/h1-13H,14H2,(H,30,31,32).
What are the key properties of N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).