3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile

C22H14N4O2 — CID 54408222

IUPAC3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile
SMILESN#CC(=Cc1cc2cccnc2n(-c2ccc(O)cc2)c1=O)c1cccnc1
InChIInChI=1S/C22H14N4O2/c23-13-18(16-4-1-9-24-14-16)12-17-11-15-3-2-10-25-21(15)26(22(17)28)19-5-7-20(27)8-6-19/h1-12,14,27H
InChIKeyVSGKYWNLEMJOQA-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.55
Rot. Bonds3

About 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile

3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile (PubChem CID 54408222) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile
PubChem CID54408222
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile
SMILESN#CC(=Cc1cc2cccnc2n(-c2ccc(O)cc2)c1=O)c1cccnc1
InChIInChI=1S/C22H14N4O2/c23-13-18(16-4-1-9-24-14-16)12-17-11-15-3-2-10-25-21(15)26(22(17)28)19-5-7-20(27)8-6-19/h1-12,14,27H
InChIKeyVSGKYWNLEMJOQA-UHFFFAOYSA-N
XLogP3.55
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile (CID 54408222) is 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile is N#CC(=Cc1cc2cccnc2n(-c2ccc(O)cc2)c1=O)c1cccnc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile?
The InChIKey is VSGKYWNLEMJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c23-13-18(16-4-1-9-24-14-16)12-17-11-15-3-2-10-25-21(15)26(22(17)28)19-5-7-20(27)8-6-19/h1-12,14,27H.
What are the key properties of 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile?
3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile has a molecular weight of 366.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-2-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 54408222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).