N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C17H19N3O4 — CID 7890319

IUPACN-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C17H19N3O4/c1-3-12-6-5-7-13(4-2)17(12)18-15(21)11-19-10-14(20(23)24)8-9-16(19)22/h5-10H,3-4,11H2,1-2H3,(H,18,21)
InChIKeyVKUKPKWSBUCTFL-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.52
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890319) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890319
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C17H19N3O4/c1-3-12-6-5-7-13(4-2)17(12)18-15(21)11-19-10-14(20(23)24)8-9-16(19)22/h5-10H,3-4,11H2,1-2H3,(H,18,21)
InChIKeyVKUKPKWSBUCTFL-UHFFFAOYSA-N
XLogP2.52
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 82108011
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 31140109
methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609499
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890319) is N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is VKUKPKWSBUCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-12-6-5-7-13(4-2)17(12)18-15(21)11-19-10-14(20(23)24)8-9-16(19)22/h5-10H,3-4,11H2,1-2H3,(H,18,21).
What are the key properties of N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).