2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile

C23H22N2O2 — CID 67870902

IUPAC2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
SMILESCCCCc1cc(O)cc(=O)n1Cc1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H22N2O2/c1-2-3-10-19-13-20(26)14-23(27)25(19)16-18-9-5-7-12-22(18)21-11-6-4-8-17(21)15-24/h4-9,11-14,26H,2-3,10,16H2,1H3
InChIKeyXUBLPVUCEQWUTL-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.48
Rot. Bonds6

About 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile

2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile (PubChem CID 67870902) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
PubChem CID67870902
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
SMILESCCCCc1cc(O)cc(=O)n1Cc1ccccc1-c1ccccc1C#N
InChIInChI=1S/C23H22N2O2/c1-2-3-10-19-13-20(26)14-23(27)25(19)16-18-9-5-7-12-22(18)21-11-6-4-8-17(21)15-24/h4-9,11-14,26H,2-3,10,16H2,1H3
InChIKeyXUBLPVUCEQWUTL-UHFFFAOYSA-N
XLogP4.48
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
2-butyl-1-[[2-cyano-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylic acid
CID 54193978
ethyl 2-butyl-3-[[2-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 54257699
6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 67880667
2-[4-[(2-butyl-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 67940236
2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 67880621
3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846397
5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 19799551
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299
6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 19012366
N-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-N-methylacetamide
CID 67880624
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile (CID 67870902) is 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile is CCCCc1cc(O)cc(=O)n1Cc1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
The InChIKey is XUBLPVUCEQWUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-3-10-19-13-20(26)14-23(27)25(19)16-18-9-5-7-12-22(18)21-11-6-4-8-17(21)15-24/h4-9,11-14,26H,2-3,10,16H2,1H3.
What are the key properties of 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile?
2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile has a molecular weight of 358.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-butyl-4-hydroxy-6-oxo-1-pyridinyl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 67870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).