2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

C23H17N3O — CID 57400027

IUPAC2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C23H17N3O/c1-2-15-5-3-4-6-18(15)16-7-9-17(10-8-16)22-19(13-24)23(27)20-14-25-12-11-21(20)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKeyVWCWZRYTBYQNGZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.69
Rot. Bonds3

About 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57400027) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57400027
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C23H17N3O/c1-2-15-5-3-4-6-18(15)16-7-9-17(10-8-16)22-19(13-24)23(27)20-14-25-12-11-21(20)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKeyVWCWZRYTBYQNGZ-UHFFFAOYSA-N
XLogP4.69
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57400027) is 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is CCc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1.
What is the InChIKey of 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is VWCWZRYTBYQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-15-5-3-4-6-18(15)16-7-9-17(10-8-16)22-19(13-24)23(27)20-14-25-12-11-21(20)26-22/h3-12,14H,2H2,1H3,(H,26,27).
What are the key properties of 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57400027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).