4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide

C₁₉H₁₇N₃O₂ — CID 142112568

About 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide

4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide (PubChem CID 142112568) has the molecular formula C₁₉H₁₇N₃O₂ and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide.

Molecular Properties

• Compound Name: 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
• PubChem CID: 142112568
• Molecular Formula: C₁₉H₁₇N₃O₂
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.13
• IUPAC Name: 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
• SMILES: [H]/N=C(\c1ccc2cc(OC)ccc2c1)c1cc(C(N)=O)ccc1N
• InChI: InChI=1S/C19H17N3O2/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)18(21)16-10-14(19(22)23)5-7-17(16)20/h2-10,21H,20H2,1H3,(H2,22,23)/b21-18+
• InChIKey: QSZXLSUPJPRUHB-DYTRJAOYSA-N
• XLogP: 2.95
• TPSA: 102.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?

The IUPAC name of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide (CID 142112568) is 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide.

What is the SMILES notation for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?

The canonical SMILES for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide is [H]/N=C(\c1ccc2cc(OC)ccc2c1)c1cc(C(N)=O)ccc1N.

What is the InChIKey of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?

The InChIKey is QSZXLSUPJPRUHB-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-15-6-4-11-8-13(3-2-12(11)9-15)18(21)16-10-14(19(22)23)5-7-17(16)20/h2-10,21H,20H2,1H3,(H2,22,23)/b21-18+.

What are the key properties of 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide?

4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide is sourced from PubChem (CID 142112568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142112568 — identifiers, structure, computed properties (public domain)

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