6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile

C24H21N3O — CID 67880667

IUPAC6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C24H21N3O/c1-3-4-10-19-14-17(2)22(16-26)24(28)27(19)23-13-8-7-12-21(23)20-11-6-5-9-18(20)15-25/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyHKUJAVHLRPZNIN-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.90
Rot. Bonds5

About 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile

6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 67880667) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID67880667
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C24H21N3O/c1-3-4-10-19-14-17(2)22(16-26)24(28)27(19)23-13-8-7-12-21(23)20-11-6-5-9-18(20)15-25/h5-9,11-14H,3-4,10H2,1-2H3
InChIKeyHKUJAVHLRPZNIN-UHFFFAOYSA-N
XLogP4.90
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 67880667) is 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile is CCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HKUJAVHLRPZNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-4-10-19-14-17(2)22(16-26)24(28)27(19)23-13-8-7-12-21(23)20-11-6-5-9-18(20)15-25/h5-9,11-14H,3-4,10H2,1-2H3.
What are the key properties of 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 67880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).