N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide

C₁₁H₁₄N₄O — CID 121318687

About N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide

N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (PubChem CID 121318687) has the molecular formula C₁₁H₁₄N₄O and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

• Compound Name: N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
• PubChem CID: 121318687
• Molecular Formula: C₁₁H₁₄N₄O
• Molecular Weight: 218.26 g/mol
• Exact Mass: 218.12
• IUPAC Name: N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
• SMILES: CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C
• InChI: InChI=1S/C11H14N4O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2/h5,7H,4H2,1-3H3,(H,14,16)/b13-7+
• InChIKey: HGFCCUQAQCWQRI-NTUHNPAUSA-N
• XLogP: 1.17
• TPSA: 72.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.26
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?

The IUPAC name of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide (CID 121318687) is N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide.

What is the SMILES notation for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?

The canonical SMILES for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.

What is the InChIKey of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?

The InChIKey is HGFCCUQAQCWQRI-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2/h5,7H,4H2,1-3H3,(H,14,16)/b13-7+.

What are the key properties of N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide?

N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 218.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 121318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121318687 — identifiers, structure, computed properties (public domain)

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