2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C16H24N4O4 — CID 712239

IUPAC2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)N1
InChIInChI=1S/C16H24N4O4/c1-15(2)8-11(9-16(3,4)18-15)17-13(21)10-19-7-5-6-12(14(19)22)20(23)24/h5-7,11,18H,8-10H2,1-4H3,(H,17,21)
InChIKeyCUILPTBDZLFFHZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.18
Rot. Bonds4

About 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 712239) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID712239
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)N1
InChIInChI=1S/C16H24N4O4/c1-15(2)8-11(9-16(3,4)18-15)17-13(21)10-19-7-5-6-12(14(19)22)20(23)24/h5-7,11,18H,8-10H2,1-4H3,(H,17,21)
InChIKeyCUILPTBDZLFFHZ-UHFFFAOYSA-N
XLogP1.18
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 712239) is 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)N1.
What is the InChIKey of 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is CUILPTBDZLFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-15(2)8-11(9-16(3,4)18-15)17-13(21)10-19-7-5-6-12(14(19)22)20(23)24/h5-7,11,18H,8-10H2,1-4H3,(H,17,21).
What are the key properties of 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-2-oxo-1-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 712239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).