4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide

C20H18BrN3O3 — CID 10151181

IUPAC4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C20H18BrN3O3/c21-18-17(27-13-15-4-2-1-3-5-15)10-11-24(20(18)25)12-14-6-8-16(9-7-14)19(22)23-26/h1-11,26H,12-13H2,(H2,22,23)
InChIKeyFUVNFEODLQDYGC-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.33
Rot. Bonds6

About 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide

4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 10151181) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID10151181
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C20H18BrN3O3/c21-18-17(27-13-15-4-2-1-3-5-15)10-11-24(20(18)25)12-14-6-8-16(9-7-14)19(22)23-26/h1-11,26H,12-13H2,(H2,22,23)
InChIKeyFUVNFEODLQDYGC-UHFFFAOYSA-N
XLogP3.33
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
CID 10173044
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
CID 11419523
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
CID 143008403
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
CID 143008418
1-benzyl-3-[2-(4-bromophenyl)ethynyl]-4-phenylmethoxypyridin-2-one
CID 58608142
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide (CID 10151181) is 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(Cn2ccc(OCc3ccccc3)c(Br)c2=O)cc1.
What is the InChIKey of 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FUVNFEODLQDYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-18-17(27-13-15-4-2-1-3-5-15)10-11-24(20(18)25)12-14-6-8-16(9-7-14)19(22)23-26/h1-11,26H,12-13H2,(H2,22,23).
What are the key properties of 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 428.29 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 10151181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).