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

C21H17Cl2N3O3 — CID 110524555

IUPACN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-29-16-7-4-14(5-8-16)13-26-10-2-3-17(21(26)28)20(27)25-24-12-15-6-9-18(22)19(23)11-15/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyWMFGRQMKYCBICT-MSXFZWOLSA-N
MW430.29 g/mol
LogP3.98
Rot. Bonds6

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

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524555) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524555
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-29-16-7-4-14(5-8-16)13-26-10-2-3-17(21(26)28)20(27)25-24-12-15-6-9-18(22)19(23)11-15/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyWMFGRQMKYCBICT-MSXFZWOLSA-N
XLogP3.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
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

1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523988
1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523865
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-benzyl-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523896

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524555) is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1ccc(Cn2cccc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c2=O)cc1.
What is the InChIKey of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is WMFGRQMKYCBICT-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-29-16-7-4-14(5-8-16)13-26-10-2-3-17(21(26)28)20(27)25-24-12-15-6-9-18(22)19(23)11-15/h2-12H,13H2,1H3,(H,25,27)/b24-12-.
What are the key properties of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 430.29 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).