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

C20H15Cl2N3O3 — CID 110524251

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESO=C(N/N=C\c1cccc(O)c1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C20H15Cl2N3O3/c21-17-7-6-14(10-18(17)22)12-25-8-2-5-16(20(25)28)19(27)24-23-11-13-3-1-4-15(26)9-13/h1-11,26H,12H2,(H,24,27)/b23-11-
InChIKeyLNCKXSBLXXUCNI-KSEXSDGBSA-N
MW416.26 g/mol
LogP3.67
Rot. Bonds5

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

1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524251) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524251
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESO=C(N/N=C\c1cccc(O)c1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C20H15Cl2N3O3/c21-17-7-6-14(10-18(17)22)12-25-8-2-5-16(20(25)28)19(27)24-23-11-13-3-1-4-15(26)9-13/h1-11,26H,12H2,(H,24,27)/b23-11-
InChIKeyLNCKXSBLXXUCNI-KSEXSDGBSA-N
XLogP3.67
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
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
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524328
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524251) is 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is O=C(N/N=C\c1cccc(O)c1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is LNCKXSBLXXUCNI-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c21-17-7-6-14(10-18(17)22)12-25-8-2-5-16(20(25)28)19(27)24-23-11-13-3-1-4-15(26)9-13/h1-11,26H,12H2,(H,24,27)/b23-11-.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).