3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide

C14H12N4O6 — CID 52569963

IUPAC3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O6/c19-13(15-11-3-1-2-4-12(11)18(23)24)7-8-16-9-10(17(21)22)5-6-14(16)20/h1-6,9H,7-8H2,(H,15,19)
InChIKeyRMMZKTKMSZTZJT-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.69
Rot. Bonds6

About 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide

3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide (PubChem CID 52569963) has the molecular formula C14H12N4O6 and a molecular weight of 332.27 g/mol. Its IUPAC name is 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
PubChem CID52569963
Molecular FormulaC14H12N4O6
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Name3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O6/c19-13(15-11-3-1-2-4-12(11)18(23)24)7-8-16-9-10(17(21)22)5-6-14(16)20/h1-6,9H,7-8H2,(H,15,19)
InChIKeyRMMZKTKMSZTZJT-UHFFFAOYSA-N
XLogP1.69
TPSA137.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-nitrophenyl)propanamide
CID 55578752
N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 47067450
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide (CID 52569963) is 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide is O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide?
The InChIKey is RMMZKTKMSZTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O6/c19-13(15-11-3-1-2-4-12(11)18(23)24)7-8-16-9-10(17(21)22)5-6-14(16)20/h1-6,9H,7-8H2,(H,15,19).
What are the key properties of 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide?
3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide has a molecular weight of 332.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 52569963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).