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

C20H16ClN3O3 — CID 136874511

IUPAC1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H16ClN3O3/c21-16-9-7-14(8-10-16)13-24-11-3-5-17(20(24)27)19(26)23-22-12-15-4-1-2-6-18(15)25/h1-12,25H,13H2,(H,23,26)/b22-12-
InChIKeyZJRXIBXPLOJMAK-UUYOSTAYSA-N
MW381.82 g/mol
LogP3.02
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 136874511) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID136874511
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H16ClN3O3/c21-16-9-7-14(8-10-16)13-24-11-3-5-17(20(24)27)19(26)23-22-12-15-4-1-2-6-18(15)25/h1-12,25H,13H2,(H,23,26)/b22-12-
InChIKeyZJRXIBXPLOJMAK-UUYOSTAYSA-N
XLogP3.02
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874589
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524608
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524431
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524186
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524267

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 136874511) is 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is O=C(N/N=C\c1ccccc1O)c1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is ZJRXIBXPLOJMAK-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-16-9-7-14(8-10-16)13-24-11-3-5-17(20(24)27)19(26)23-22-12-15-4-1-2-6-18(15)25/h1-12,25H,13H2,(H,23,26)/b22-12-.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 136874511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).