5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile

C26H18N2O5 — CID 3613028

IUPAC5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2)c1
InChIInChI=1S/C26H18N2O5/c1-32-22-11-12-24(29)23(14-22)25(30)18-13-17(15-27)26(31)28(16-18)19-7-9-21(10-8-19)33-20-5-3-2-4-6-20/h2-14,16,29H,1H3
InChIKeyAEXPXZKEAQHZFW-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.45
Rot. Bonds6

About 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile

5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3613028) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
PubChem CID3613028
Molecular FormulaC26H18N2O5
Molecular Weight438.44 g/mol
Exact Mass438.12
IUPAC Name5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2)c1
InChIInChI=1S/C26H18N2O5/c1-32-22-11-12-24(29)23(14-22)25(30)18-13-17(15-27)26(31)28(16-18)19-7-9-21(10-8-19)33-20-5-3-2-4-6-20/h2-14,16,29H,1H3
InChIKeyAEXPXZKEAQHZFW-UHFFFAOYSA-N
XLogP4.45
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 2369250
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-3-ium-2-yl)pyridine-3-carbonitrile
CID 7815955
1-(4-chlorophenyl)-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 3301984
5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2368060
5-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 2367263
5-(2-hydroxy-4-methoxybenzoyl)-1-phenylpyridin-2-one
CID 44817921
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carbonitrile
CID 41071133
methyl 3-amino-4-cyano-1-[4-(3-methoxyphenoxy)phenyl]pyrrole-2-carboxylate
CID 168546300
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 29432740
4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
CID 25494865

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile (CID 3613028) is 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile is COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is AEXPXZKEAQHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c1-32-22-11-12-24(29)23(14-22)25(30)18-13-17(15-27)26(31)28(16-18)19-7-9-21(10-8-19)33-20-5-3-2-4-6-20/h2-14,16,29H,1H3.
What are the key properties of 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile?
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 438.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3613028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).