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

C21H17Cl2N3O2 — CID 110524069

IUPACN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3Cl)c2=O)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-14-7-9-15(10-8-14)13-26-11-3-5-17(21(26)28)20(27)25-24-12-16-4-2-6-18(22)19(16)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyNCHQHMQYAOFUMW-MSXFZWOLSA-N
MW414.29 g/mol
LogP4.28
Rot. Bonds5

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

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524069) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524069
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3Cl)c2=O)cc1
InChIInChI=1S/C21H17Cl2N3O2/c1-14-7-9-15(10-8-14)13-26-11-3-5-17(21(26)28)20(27)25-24-12-16-4-2-6-18(22)19(16)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-
InChIKeyNCHQHMQYAOFUMW-MSXFZWOLSA-N
XLogP4.28
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.28
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

N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874500
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-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874511
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524057
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524545
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524608
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524069) is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(Cn2cccc(C(=O)N/N=C\c3cccc(Cl)c3Cl)c2=O)cc1.
What is the InChIKey of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is NCHQHMQYAOFUMW-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c1-14-7-9-15(10-8-14)13-26-11-3-5-17(21(26)28)20(27)25-24-12-16-4-2-6-18(22)19(16)23/h2-12H,13H2,1H3,(H,25,27)/b24-12-.
What are the key properties of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 414.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).