2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one

C26H20N4O2 — CID 20790484

IUPAC2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3cccnc3)ncc12
InChIInChI=1S/C26H20N4O2/c31-25-15-26(29-19-8-3-1-4-9-19)30(21-10-5-2-6-11-21)24-14-20(28-17-23(24)25)18-32-22-12-7-13-27-16-22/h1-17,29H,18H2
InChIKeySXFPXGOAWSHAND-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.10
Rot. Bonds6

About 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one

2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one (PubChem CID 20790484) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
PubChem CID20790484
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3cccnc3)ncc12
InChIInChI=1S/C26H20N4O2/c31-25-15-26(29-19-8-3-1-4-9-19)30(21-10-5-2-6-11-21)24-14-20(28-17-23(24)25)18-32-22-12-7-13-27-16-22/h1-17,29H,18H2
InChIKeySXFPXGOAWSHAND-UHFFFAOYSA-N
XLogP5.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one (CID 20790484) is 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3cccnc3)ncc12.
What is the InChIKey of 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
The InChIKey is SXFPXGOAWSHAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c31-25-15-26(29-19-8-3-1-4-9-19)30(21-10-5-2-6-11-21)24-14-20(28-17-23(24)25)18-32-22-12-7-13-27-16-22/h1-17,29H,18H2.
What are the key properties of 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one?
2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one has a molecular weight of 420.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-(pyridin-3-yloxymethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).