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

C22H12N4O — CID 57394826

IUPAC2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C22H12N4O/c23-11-16-3-1-2-4-17(16)14-5-7-15(8-6-14)21-18(12-24)22(27)19-13-25-10-9-20(19)26-21/h1-10,13H,(H,26,27)
InChIKeyKLULJQJGHMJEMB-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.00
Rot. Bonds2

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

2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57394826) has the molecular formula C22H12N4O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57394826
Molecular FormulaC22H12N4O
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC Name2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C22H12N4O/c23-11-16-3-1-2-4-17(16)14-5-7-15(8-6-14)21-18(12-24)22(27)19-13-25-10-9-20(19)26-21/h1-10,13H,(H,26,27)
InChIKeyKLULJQJGHMJEMB-UHFFFAOYSA-N
XLogP4.00
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57394826) is 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1.
What is the InChIKey of 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is KLULJQJGHMJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4O/c23-11-16-3-1-2-4-17(16)14-5-7-15(8-6-14)21-18(12-24)22(27)19-13-25-10-9-20(19)26-21/h1-10,13H,(H,26,27).
What are the key properties of 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57394826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).