1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

C24H25N3O4 — CID 110523865

IUPAC1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)ccc1OC(C)C
InChIInChI=1S/C24H25N3O4/c1-17(2)31-21-12-11-19(14-22(21)30-3)15-25-26-23(28)20-10-7-13-27(24(20)29)16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3,(H,26,28)/b25-15-
InChIKeyVBSNUUXUOSRHLX-MYYYXRDXSA-N
MW419.48 g/mol
LogP3.46
Rot. Bonds8

About 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523865) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523865
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)ccc1OC(C)C
InChIInChI=1S/C24H25N3O4/c1-17(2)31-21-12-11-19(14-22(21)30-3)15-25-26-23(28)20-10-7-13-27(24(20)29)16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3,(H,26,28)/b25-15-
InChIKeyVBSNUUXUOSRHLX-MYYYXRDXSA-N
XLogP3.46
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-benzyl-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523896
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523689
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523988
1-benzyl-N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523889
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523865) is 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is COc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)ccc1OC(C)C.
What is the InChIKey of 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is VBSNUUXUOSRHLX-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17(2)31-21-12-11-19(14-22(21)30-3)15-25-26-23(28)20-10-7-13-27(24(20)29)16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3,(H,26,28)/b25-15-.
What are the key properties of 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).