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

C21H14N4O — CID 57396593

IUPAC2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)ccn1
InChIInChI=1S/C21H14N4O/c1-13-10-16(6-9-24-13)14-2-4-15(5-3-14)20-17(11-22)21(26)18-12-23-8-7-19(18)25-20/h2-10,12H,1H3,(H,25,26)
InChIKeyLKTSKFINPOYPKI-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.83
Rot. Bonds2

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

2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57396593) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57396593
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)ccn1
InChIInChI=1S/C21H14N4O/c1-13-10-16(6-9-24-13)14-2-4-15(5-3-14)20-17(11-22)21(26)18-12-23-8-7-19(18)25-20/h2-10,12H,1H3,(H,25,26)
InChIKeyLKTSKFINPOYPKI-UHFFFAOYSA-N
XLogP3.83
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57396593) is 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is LKTSKFINPOYPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-13-10-16(6-9-24-13)14-2-4-15(5-3-14)20-17(11-22)21(26)18-12-23-8-7-19(18)25-20/h2-10,12H,1H3,(H,25,26).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 338.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57396593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).