4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile

C21H14N2O2 — CID 133064841

IUPAC4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)o1
InChIInChI=1S/C21H14N2O2/c1-13-6-9-20(25-13)17-11-19(23-21(24)18(17)12-22)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,1H3,(H,23,24)
InChIKeyYRYNVZZVSAXUGG-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.64
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile

4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 133064841) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID133064841
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)o1
InChIInChI=1S/C21H14N2O2/c1-13-6-9-20(25-13)17-11-19(23-21(24)18(17)12-22)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,1H3,(H,23,24)
InChIKeyYRYNVZZVSAXUGG-UHFFFAOYSA-N
XLogP4.64
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_E(4)', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
CID 19656594
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
6-(3,4-dimethoxyphenyl)-4-(5-nitrofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657141
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
6-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 1475472
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile (CID 133064841) is 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YRYNVZZVSAXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c1-13-6-9-20(25-13)17-11-19(23-21(24)18(17)12-22)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,1H3,(H,23,24).
What are the key properties of 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 133064841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).