N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide

C8H9N3O4 — CID 110495915

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H9N3O4/c1-2-7(13)10-8-6(12)3-5(4-9-8)11(14)15/h3-4,12H,2H2,1H3,(H,9,10,13)
InChIKeyVGDNYMASQGNZIB-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.04
Rot. Bonds3

About N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide

N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide (PubChem CID 110495915) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
PubChem CID110495915
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C8H9N3O4/c1-2-7(13)10-8-6(12)3-5(4-9-8)11(14)15/h3-4,12H,2H2,1H3,(H,9,10,13)
InChIKeyVGDNYMASQGNZIB-UHFFFAOYSA-N
XLogP1.04
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyridin-4-ylacetamide
CID 110496062
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
CID 110496018
N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 110496026
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide
CID 54398784
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
2-fluoro-5-nitropyridin-3-ol
CID 130057663
N-[2-(ethylamino)-5-nitrophenyl]propanamide
CID 71408638
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 113410745

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide (CID 110495915) is N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide is CCC(=O)Nc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide?
The InChIKey is VGDNYMASQGNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-2-7(13)10-8-6(12)3-5(4-9-8)11(14)15/h3-4,12H,2H2,1H3,(H,9,10,13).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide has a molecular weight of 211.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 110495915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).