3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide

C19H19N5O3 — CID 153385475

IUPAC3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide
SMILESCc1cnc(ONC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C19H19N5O3/c1-13-12-22-19(24(13)16-9-5-6-10-21-16)27-23-15(17(25)18(20)26)11-14-7-3-2-4-8-14/h2-10,12,15,23H,11H2,1H3,(H2,20,26)
InChIKeyGCYNIIISIOLEFA-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.12
Rot. Bonds8

About 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide

3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide (PubChem CID 153385475) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide.

Molecular Properties

Compound Name3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide
PubChem CID153385475
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide
SMILESCc1cnc(ONC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1
InChIInChI=1S/C19H19N5O3/c1-13-12-22-19(24(13)16-9-5-6-10-21-16)27-23-15(17(25)18(20)26)11-14-7-3-2-4-8-14/h2-10,12,15,23H,11H2,1H3,(H2,20,26)
InChIKeyGCYNIIISIOLEFA-UHFFFAOYSA-N
XLogP1.12
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153386001
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
3-[(5-methyl-2-pyridin-2-ylpyrazole-3-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153386087
N-(4-amino-3,4-dioxo-1-pyrrol-1-ylbutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 148718501
N-(4-amino-1-indolizin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153483974
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-(1H-pyrrol-2-yl)imidazole-4-carboxamide
CID 153386249
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385785
benzyl N-[1-[[1-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 174760143
N-(1-amino-1,2-dioxo-5-phenylpentan-3-yl)-1-pyridin-2-ylimidazole-2-carboxamide
CID 153043553
N-(4-amino-1-furo[2,3-b]pyridin-3-yl-3,4-dioxobutan-2-yl)-2-methyl-3-pyridin-2-ylimidazole-4-carboxamide
CID 153385659

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide?
The IUPAC name of 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide (CID 153385475) is 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide.
What is the SMILES notation for 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide?
The canonical SMILES for 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide is Cc1cnc(ONC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccn1.
What is the InChIKey of 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide?
The InChIKey is GCYNIIISIOLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-12-22-19(24(13)16-9-5-6-10-21-16)27-23-15(17(25)18(20)26)11-14-7-3-2-4-8-14/h2-10,12,15,23H,11H2,1H3,(H2,20,26).
What are the key properties of 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide?
3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide has a molecular weight of 365.39 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-pyridin-2-ylimidazol-2-yl)oxyamino]-2-oxo-4-phenylbutanamide is sourced from PubChem (CID 153385475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).