2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

C24H30N6O2 — CID 155028589

About 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 155028589) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

• Compound Name: 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
• PubChem CID: 155028589
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
• SMILES: [H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(NCc2cccc(OC)n2)c1NC(C)C
• InChI: InChI=1S/C24H30N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(23(28-15(2)3)22(30-19)16(4)25)27-14-17-9-7-11-21(29-17)31-5/h7-13,15,25,28H,6,14H2,1-5H3,(H,27,30)/b25-16+
• InChIKey: XLDNSSGENLNNOI-PCLIKHOPSA-N
• XLogP: 4.77
• TPSA: 105.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?

The IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (CID 155028589) is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.

What is the SMILES notation for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?

The canonical SMILES for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is [H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(NCc2cccc(OC)n2)c1NC(C)C.

What is the InChIKey of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?

The InChIKey is XLDNSSGENLNNOI-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(23(28-15(2)3)22(30-19)16(4)25)27-14-17-9-7-11-21(29-17)31-5/h7-13,15,25,28H,6,14H2,1-5H3,(H,27,30)/b25-16+.

What are the key properties of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 434.54 g/mol, XLogP of 4.77, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 155028589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).