N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide

C12H10N4O4 — CID 110496062

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H10N4O4/c17-10-6-9(16(19)20)7-14-12(10)15-11(18)5-8-1-3-13-4-2-8/h1-4,6-7,17H,5H2,(H,14,15,18)
InChIKeyQAKFFIUAKRWHJU-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.27
Rot. Bonds4

About N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide (PubChem CID 110496062) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
PubChem CID110496062
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H10N4O4/c17-10-6-9(16(19)20)7-14-12(10)15-11(18)5-8-1-3-13-4-2-8/h1-4,6-7,17H,5H2,(H,14,15,18)
InChIKeyQAKFFIUAKRWHJU-UHFFFAOYSA-N
XLogP1.27
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.27
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)-4-oxo-4-phenylbutanamide
CID 110496026
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
1-(4-nitrophenyl)-2-pyridin-4-ylethanone
CID 14291559
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N,2-dipyridin-4-ylacetamide
CID 110468100
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide (CID 110496062) is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)Nc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide?
The InChIKey is QAKFFIUAKRWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-10-6-9(16(19)20)7-14-12(10)15-11(18)5-8-1-3-13-4-2-8/h1-4,6-7,17H,5H2,(H,14,15,18).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide has a molecular weight of 274.24 g/mol, XLogP of 1.27, 4 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)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 110496062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).