[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate

C23H21N3O4 — CID 110523171

IUPAC[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C23H21N3O4/c1-16-5-3-6-19(13-16)15-26-12-4-7-21(23(26)29)22(28)25-24-14-18-8-10-20(11-9-18)30-17(2)27/h3-14H,15H2,1-2H3,(H,25,28)/b24-14-
InChIKeyACDMALTURJHUNS-OYKKKHCWSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds6

About [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate

[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 110523171) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID110523171
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C23H21N3O4/c1-16-5-3-6-19(13-16)15-26-12-4-7-21(23(26)29)22(28)25-24-14-18-8-10-20(11-9-18)30-17(2)27/h3-14H,15H2,1-2H3,(H,25,28)/b24-14-
InChIKeyACDMALTURJHUNS-OYKKKHCWSA-N
XLogP2.89
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(3-chlorophenyl)methyl]-2-oxo-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524275
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523154
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874370
[4-[(Z)-[(2-oxo-1-propan-2-ylpyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 110523760
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate (CID 110523171) is [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate is CC(=O)Oc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is ACDMALTURJHUNS-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-5-3-6-19(13-16)15-26-12-4-7-21(23(26)29)22(28)25-24-14-18-8-10-20(11-9-18)30-17(2)27/h3-14H,15H2,1-2H3,(H,25,28)/b24-14-.
What are the key properties of [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate?
[4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 403.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 110523171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).