1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C23H20N4O5 — CID 14326676

IUPAC1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESO=C(NN1C(=O)CNC1=O)c1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C23H20N4O5/c28-19-11-18(22(30)25-27-21(29)12-24-23(27)31)26(13-16-7-3-1-4-8-16)14-20(19)32-15-17-9-5-2-6-10-17/h1-11,14H,12-13,15H2,(H,24,31)(H,25,30)
InChIKeyVUQXMOWEZSWGHT-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.67
Rot. Bonds7

About 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide

1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 14326676) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID14326676
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESO=C(NN1C(=O)CNC1=O)c1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C23H20N4O5/c28-19-11-18(22(30)25-27-21(29)12-24-23(27)31)26(13-16-7-3-1-4-8-16)14-20(19)32-15-17-9-5-2-6-10-17/h1-11,14H,12-13,15H2,(H,24,31)(H,25,30)
InChIKeyVUQXMOWEZSWGHT-UHFFFAOYSA-N
XLogP1.67
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53367991
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896
2-[2-methyl-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 16852935
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 14326676) is 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide is O=C(NN1C(=O)CNC1=O)c1cc(=O)c(OCc2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is VUQXMOWEZSWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-19-11-18(22(30)25-27-21(29)12-24-23(27)31)26(13-16-7-3-1-4-8-16)14-20(19)32-15-17-9-5-2-6-10-17/h1-11,14H,12-13,15H2,(H,24,31)(H,25,30).
What are the key properties of 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-dioxoimidazolidin-1-yl)-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 14326676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).