5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile

C24H23N3O3 — CID 3410360

IUPAC5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1
InChIInChI=1S/C24H23N3O3/c1-3-30-20-11-9-19(10-12-20)26-16-22-17(2)21(15-25)23(28)27(24(22)29)14-13-18-7-5-4-6-8-18/h4-12,16,29H,3,13-14H2,1-2H3/b26-16+
InChIKeyGATCNUKIPMBEEW-WGOQTCKBSA-N
MW401.47 g/mol
LogP4.13
Rot. Bonds7

About 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile

5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (PubChem CID 3410360) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
PubChem CID3410360
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1
InChIInChI=1S/C24H23N3O3/c1-3-30-20-11-9-19(10-12-20)26-16-22-17(2)21(15-25)23(28)27(24(22)29)14-13-18-7-5-4-6-8-18/h4-12,16,29H,3,13-14H2,1-2H3/b26-16+
InChIKeyGATCNUKIPMBEEW-WGOQTCKBSA-N
XLogP4.13
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (CID 3410360) is 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile is CCOc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is GATCNUKIPMBEEW-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-30-20-11-9-19(10-12-20)26-16-22-17(2)21(15-25)23(28)27(24(22)29)14-13-18-7-5-4-6-8-18/h4-12,16,29H,3,13-14H2,1-2H3/b26-16+.
What are the key properties of 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 401.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).