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

C25H27N3O2 — CID 110524608

IUPAC1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C25H27N3O2/c1-18-8-5-6-9-20(18)16-26-27-23(29)22-10-7-15-28(24(22)30)17-19-11-13-21(14-12-19)25(2,3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16-
InChIKeyOPFWTGINVFFVNT-QQXSKIMKSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds5

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

1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524608) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524608
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C(C)(C)C)cc2)c1=O
InChIInChI=1S/C25H27N3O2/c1-18-8-5-6-9-20(18)16-26-27-23(29)22-10-7-15-28(24(22)30)17-19-11-13-21(14-12-19)25(2,3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16-
InChIKeyOPFWTGINVFFVNT-QQXSKIMKSA-N
XLogP4.27
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
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-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874589
1-[(4-tert-butylphenyl)methyl]-2-oxo-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524614
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874511
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524069
1-[(4-methylphenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524066
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524425
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
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
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874491
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 136874500

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524608) is 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is Cc1ccccc1/C=N\NC(=O)c1cccn(Cc2ccc(C(C)(C)C)cc2)c1=O.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is OPFWTGINVFFVNT-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-8-5-6-9-20(18)16-26-27-23(29)22-10-7-15-28(24(22)30)17-19-11-13-21(14-12-19)25(2,3)4/h5-16H,17H2,1-4H3,(H,27,29)/b26-16-.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).