5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine

C23H36N6 — CID 143020016

About 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine

5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 143020016) has the molecular formula C23H36N6 and a molecular weight of 396.58 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine
• PubChem CID: 143020016
• Molecular Formula: C23H36N6
• Molecular Weight: 396.58 g/mol
• Exact Mass: 396.30
• IUPAC Name: 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine
• SMILES: [H]/N=C(\C)c1nc(-c2ccc(C(C)C)nc2N(C)C)c(CC)nc1NC(CC)CC
• InChI: InChI=1S/C23H36N6/c1-9-16(10-2)25-22-20(15(6)24)28-21(18(11-3)26-22)17-12-13-19(14(4)5)27-23(17)29(7)8/h12-14,16,24H,9-11H2,1-8H3,(H,25,26)/b24-15+
• InChIKey: NRAGXRMBFIJKEL-BUVRLJJBSA-N
• XLogP: 5.28
• TPSA: 77.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.58
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine?

The IUPAC name of 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine (CID 143020016) is 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine.

What is the SMILES notation for 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine?

The canonical SMILES for 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine is [H]/N=C(\C)c1nc(-c2ccc(C(C)C)nc2N(C)C)c(CC)nc1NC(CC)CC.

What is the InChIKey of 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine?

The InChIKey is NRAGXRMBFIJKEL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H36N6/c1-9-16(10-2)25-22-20(15(6)24)28-21(18(11-3)26-22)17-12-13-19(14(4)5)27-23(17)29(7)8/h12-14,16,24H,9-11H2,1-8H3,(H,25,26)/b24-15+.

What are the key properties of 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine?

5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 396.58 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 143020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).