N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide

C24H22N4O3 — CID 979345

IUPACN-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1
InChIInChI=1S/C24H22N4O3/c1-16-21(14-25)23(30)28(13-12-18-6-4-3-5-7-18)24(31)22(16)15-26-19-8-10-20(11-9-19)27-17(2)29/h3-11,15,31H,12-13H2,1-2H3,(H,27,29)/b26-15+
InChIKeyOGBNYPUHTIWOJE-CVKSISIWSA-N
MW414.47 g/mol
LogP3.69
Rot. Bonds6

About N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide

N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide (PubChem CID 979345) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide
PubChem CID979345
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1
InChIInChI=1S/C24H22N4O3/c1-16-21(14-25)23(30)28(13-12-18-6-4-3-5-7-18)24(31)22(16)15-26-19-8-10-20(11-9-19)27-17(2)29/h3-11,15,31H,12-13H2,1-2H3,(H,27,29)/b26-15+
InChIKeyOGBNYPUHTIWOJE-CVKSISIWSA-N
XLogP3.69
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
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 N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide (CID 979345) is N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2c(C)c(C#N)c(=O)n(CCc3ccccc3)c2O)cc1.
What is the InChIKey of N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide?
The InChIKey is OGBNYPUHTIWOJE-CVKSISIWSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-21(14-25)23(30)28(13-12-18-6-4-3-5-7-18)24(31)22(16)15-26-19-8-10-20(11-9-19)27-17(2)29/h3-11,15,31H,12-13H2,1-2H3,(H,27,29)/b26-15+.
What are the key properties of N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide?
N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)-3-pyridinyl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 979345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).