5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one

C26H19N3O2 — CID 122196396

IUPAC5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-15-13-22(26(29-25)19-5-2-1-3-6-19)18-8-11-21(12-9-18)31-17-20-10-14-23-24(28-20)7-4-16-27-23/h1-16H,17H2,(H,29,30)
InChIKeyJVPIKNZSDPNTBW-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.23
Rot. Bonds5

About 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one

5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 122196396) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one
PubChem CID122196396
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-15-13-22(26(29-25)19-5-2-1-3-6-19)18-8-11-21(12-9-18)31-17-20-10-14-23-24(28-20)7-4-16-27-23/h1-16H,17H2,(H,29,30)
InChIKeyJVPIKNZSDPNTBW-UHFFFAOYSA-N
XLogP5.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one (CID 122196396) is 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is JVPIKNZSDPNTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25-15-13-22(26(29-25)19-5-2-1-3-6-19)18-8-11-21(12-9-18)31-17-20-10-14-23-24(28-20)7-4-16-27-23/h1-16H,17H2,(H,29,30).
What are the key properties of 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one?
5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 122196396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).