N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C26H30BrClN6 — CID 59021494

About N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 59021494) has the molecular formula C26H30BrClN6 and a molecular weight of 541.93 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 59021494
• Molecular Formula: C26H30BrClN6
• Molecular Weight: 541.93 g/mol
• Exact Mass: 540.14
• IUPAC Name: N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1ccccc1Cl
• InChI: InChI=1S/C26H30BrClN6/c1-18-22-16-19(8-12-33-14-10-29-11-15-33)31-26(32-20-6-7-25(27)30-17-20)21(22)9-13-34(18)24-5-3-2-4-23(24)28/h2-7,16-18,29H,8-15H2,1H3,(H,31,32)
• InChIKey: ABFFLJNVOLEPDR-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 56.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.93
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The IUPAC name of N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 59021494) is N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

What is the SMILES notation for N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The canonical SMILES for N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1ccccc1Cl.

What is the InChIKey of N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The InChIKey is ABFFLJNVOLEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrClN6/c1-18-22-16-19(8-12-33-14-10-29-11-15-33)31-26(32-20-6-7-25(27)30-17-20)21(22)9-13-34(18)24-5-3-2-4-23(24)28/h2-7,16-18,29H,8-15H2,1H3,(H,31,32).

What are the key properties of N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 541.93 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-3-pyridinyl)-6-(2-chlorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 59021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).