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

C20H25BrN4O — CID 11407418

IUPAC4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccccc1Br
InChIInChI=1S/C20H25BrN4O/c1-4-6-11-24(5-2)17-12-14(3)22-20-19(17)23-18(26)13-25(20)16-10-8-7-9-15(16)21/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,26)
InChIKeySNAFYADXBXWJBH-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.87
Rot. Bonds6

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

4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 11407418) has the molecular formula C20H25BrN4O and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID11407418
Molecular FormulaC20H25BrN4O
Molecular Weight417.35 g/mol
Exact Mass416.12
IUPAC Name4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccccc1Br
InChIInChI=1S/C20H25BrN4O/c1-4-6-11-24(5-2)17-12-14(3)22-20-19(17)23-18(26)13-25(20)16-10-8-7-9-15(16)21/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,26)
InChIKeySNAFYADXBXWJBH-UHFFFAOYSA-N
XLogP4.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 11407418) is 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is SNAFYADXBXWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O/c1-4-6-11-24(5-2)17-12-14(3)22-20-19(17)23-18(26)13-25(20)16-10-8-7-9-15(16)21/h7-10,12H,4-6,11,13H2,1-3H3,(H,23,26).
What are the key properties of 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 417.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11407418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).