N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide

C15H13N3O5 — CID 110496026

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H13N3O5/c19-12(10-4-2-1-3-5-10)6-7-14(21)17-15-13(20)8-11(9-16-15)18(22)23/h1-5,8-9,20H,6-7H2,(H,16,17,21)
InChIKeyDLDGLHDTNJSVSL-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.30
Rot. Bonds6

About N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide

N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide (PubChem CID 110496026) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
PubChem CID110496026
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C15H13N3O5/c19-12(10-4-2-1-3-5-10)6-7-14(21)17-15-13(20)8-11(9-16-15)18(22)23/h1-5,8-9,20H,6-7H2,(H,16,17,21)
InChIKeyDLDGLHDTNJSVSL-UHFFFAOYSA-N
XLogP2.30
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
CID 110496018
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
CID 110496062
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
4-oxo-N,4-diphenylbutanamide
CID 825307
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-nitrophenyl)-4-oxobutanamide
CID 108796760
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044
phenacyl 4-(4-nitroanilino)-4-oxobutanoate
CID 3818184

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide (CID 110496026) is N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide?
The InChIKey is DLDGLHDTNJSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c19-12(10-4-2-1-3-5-10)6-7-14(21)17-15-13(20)8-11(9-16-15)18(22)23/h1-5,8-9,20H,6-7H2,(H,16,17,21).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide has a molecular weight of 315.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 110496026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).