2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C18H16N4O4 — CID 55402922

About 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 55402922) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• PubChem CID: 55402922
• Molecular Formula: C18H16N4O4
• Molecular Weight: 352.35 g/mol
• Exact Mass: 352.12
• IUPAC Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• SMILES: N#Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CCCc3ccccc32)c1=O
• InChI: InChI=1S/C18H16N4O4/c19-9-13-8-14(22(25)26)10-21(18(13)24)11-17(23)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8,10,16H,3,5,7,11H2,(H,20,23)
• InChIKey: NARGGUMOSQIRGV-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 118.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.35
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 55402922) is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

What is the SMILES notation for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The canonical SMILES for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is N#Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CCCc3ccccc32)c1=O.

What is the InChIKey of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The InChIKey is NARGGUMOSQIRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c19-9-13-8-14(22(25)26)10-21(18(13)24)11-17(23)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8,10,16H,3,5,7,11H2,(H,20,23).

What are the key properties of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 352.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 55402922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).