N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C25H29BrClN7 — CID 11753088

About N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 11753088) has the molecular formula C25H29BrClN7 and a molecular weight of 542.91 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-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-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• PubChem CID: 11753088
• Molecular Formula: C25H29BrClN7
• Molecular Weight: 542.91 g/mol
• Exact Mass: 541.14
• IUPAC Name: N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
• SMILES: CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1cnccc1Cl
• InChI: InChI=1S/C25H29BrClN7/c1-17-21-14-18(5-10-33-12-8-28-9-13-33)31-25(32-19-2-3-24(26)30-15-19)20(21)6-11-34(17)23-16-29-7-4-22(23)27/h2-4,7,14-17,28H,5-6,8-13H2,1H3,(H,31,32)
• InChIKey: NYMDMHAQBCXQFW-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 69.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.91
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-(4-chloro-3-pyridinyl)-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-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 11753088) is N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-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-(4-chloro-3-pyridinyl)-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-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC1c2cc(CCN3CCNCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1cnccc1Cl.

What is the InChIKey of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

The InChIKey is NYMDMHAQBCXQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrClN7/c1-17-21-14-18(5-10-33-12-8-28-9-13-33)31-25(32-19-2-3-24(26)30-15-19)20(21)6-11-34(17)23-16-29-7-4-22(23)27/h2-4,7,14-17,28H,5-6,8-13H2,1H3,(H,31,32).

What are the key properties of N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?

N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 542.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-3-pyridinyl)-6-(4-chloro-3-pyridinyl)-5-methyl-3-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 11753088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).