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

C24H24ClN3O2 — CID 110524425

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C24H24ClN3O2/c1-24(2,3)19-12-10-17(11-13-19)15-26-27-22(29)20-8-6-14-28(23(20)30)16-18-7-4-5-9-21(18)25/h4-15H,16H2,1-3H3,(H,27,29)/b26-15-
InChIKeyGWUSNCMEBXXICD-YSMPRRRNSA-N
MW421.93 g/mol
LogP4.61
Rot. Bonds5

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

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110524425) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110524425
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C24H24ClN3O2/c1-24(2,3)19-12-10-17(11-13-19)15-26-27-22(29)20-8-6-14-28(23(20)30)16-18-7-4-5-9-21(18)25/h4-15H,16H2,1-3H3,(H,27,29)/b26-15-
InChIKeyGWUSNCMEBXXICD-YSMPRRRNSA-N
XLogP4.61
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.61
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-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
1-[(4-tert-butylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524614
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110524357
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524431
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524427
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874589
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524608
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
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)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110524425) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(C)(C)c1ccc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is GWUSNCMEBXXICD-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-24(2,3)19-12-10-17(11-13-19)15-26-27-22(29)20-8-6-14-28(23(20)30)16-18-7-4-5-9-21(18)25/h4-15H,16H2,1-3H3,(H,27,29)/b26-15-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).