5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C28H21N3O3 — CID 135669282

IUPAC5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C28H21N3O3/c1-19-23(16-29)27(33)31(18-20-10-4-2-5-11-20)28(34)24(19)17-30-25-15-9-8-14-22(25)26(32)21-12-6-3-7-13-21/h2-15,17,34H,18H2,1H3/b30-17+
InChIKeyRGYCSELXZVAAGP-OCSSWDANSA-N
MW447.49 g/mol
LogP4.76
Rot. Bonds6

About 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 135669282) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID135669282
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC Name5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C28H21N3O3/c1-19-23(16-29)27(33)31(18-20-10-4-2-5-11-20)28(34)24(19)17-30-25-15-9-8-14-22(25)26(32)21-12-6-3-7-13-21/h2-15,17,34H,18H2,1H3/b30-17+
InChIKeyRGYCSELXZVAAGP-OCSSWDANSA-N
XLogP4.76
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylidene]acetamide
CID 3520955
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-[(2,4,6-trichlorophenyl)iminomethyl]pyridine-3-carbonitrile
CID 4155677
[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]urea
CID 4688077
6-hydroxy-4-methyl-2-oxo-5-(phenyliminomethyl)-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 135669029
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonitrile
CID 135669051
1-benzyl-5-[(2,6-dibromo-4-nitrophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135669304
5-[[2-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 5080155
ethyl 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(oxolan-2-ylmethyl)-3-pyridinyl]methylideneamino]benzoate
CID 135649358
5-[(2-benzoylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135836049
5-[(3-chloro-2-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 135668833
4-[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]-N-(4-bromophenyl)benzenesulfonamide
CID 4185910
5-[(2-ethoxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135984275

Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 135669282) is 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/c2ccccc2C(=O)c2ccccc2)c(O)n(Cc2ccccc2)c(=O)c1C#N.
What is the InChIKey of 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is RGYCSELXZVAAGP-OCSSWDANSA-N. The full InChI is InChI=1S/C28H21N3O3/c1-19-23(16-29)27(33)31(18-20-10-4-2-5-11-20)28(34)24(19)17-30-25-15-9-8-14-22(25)26(32)21-12-6-3-7-13-21/h2-15,17,34H,18H2,1H3/b30-17+.
What are the key properties of 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 447.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzoylphenyl)iminomethyl]-1-benzyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135669282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).