8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C20H24Br2N4O — CID 90231873

About 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 90231873) has the molecular formula C20H24Br2N4O and a molecular weight of 496.25 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
• PubChem CID: 90231873
• Molecular Formula: C20H24Br2N4O
• Molecular Weight: 496.25 g/mol
• Exact Mass: 494.03
• IUPAC Name: 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
• SMILES: CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1Br
• InChI: InChI=1S/C20H24Br2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)
• InChIKey: KCWLXDNHGXTOTM-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.25
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?

The IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 90231873) is 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?

The canonical SMILES for 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(Br)cc1Br.

What is the InChIKey of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?

The InChIKey is KCWLXDNHGXTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27).

What are the key properties of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?

8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 496.25 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 90231873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).