1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

C22H20ClN3O2 — CID 110524300

IUPAC1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C22H20ClN3O2/c1-2-16-8-10-17(11-9-16)14-24-25-21(27)20-7-4-12-26(22(20)28)15-18-5-3-6-19(23)13-18/h3-14H,2,15H2,1H3,(H,25,27)/b24-14-
InChIKeyJFFDNBAYTZUQNR-OYKKKHCWSA-N
MW393.87 g/mol
LogP3.88
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524300) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524300
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C22H20ClN3O2/c1-2-16-8-10-17(11-9-16)14-24-25-21(27)20-7-4-12-26(22(20)28)15-18-5-3-6-19(23)13-18/h3-14H,2,15H2,1H3,(H,25,27)/b24-14-
InChIKeyJFFDNBAYTZUQNR-OYKKKHCWSA-N
XLogP3.88
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
1-[(3-chlorophenyl)methyl]-2-oxo-N-[(Z)-(4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524275
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524328
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524073
1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524267
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523990

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524300) is 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is CCc1ccc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is JFFDNBAYTZUQNR-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-2-16-8-10-17(11-9-16)14-24-25-21(27)20-7-4-12-26(22(20)28)15-18-5-3-6-19(23)13-18/h3-14H,2,15H2,1H3,(H,25,27)/b24-14-.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).