8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one

C21H26Br2N4O — CID 122193720

IUPAC8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1N(C)C(=O)CN2c1ccc(Br)cc1Br
InChIInChI=1S/C21H26Br2N4O/c1-5-7-10-26(6-2)18-11-14(3)24-21-20(18)25(4)19(28)13-27(21)17-9-8-15(22)12-16(17)23/h8-9,11-12H,5-7,10,13H2,1-4H3
InChIKeyRSHLUFXLPYPJHG-UHFFFAOYSA-N
MW510.27 g/mol
LogP5.66
Rot. Bonds6

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

8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 122193720) has the molecular formula C21H26Br2N4O and a molecular weight of 510.27 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
PubChem CID122193720
Molecular FormulaC21H26Br2N4O
Molecular Weight510.27 g/mol
Exact Mass508.05
IUPAC Name8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1N(C)C(=O)CN2c1ccc(Br)cc1Br
InChIInChI=1S/C21H26Br2N4O/c1-5-7-10-26(6-2)18-11-14(3)24-21-20(18)25(4)19(28)13-27(21)17-9-8-15(22)12-16(17)23/h8-9,11-12H,5-7,10,13H2,1-4H3
InChIKeyRSHLUFXLPYPJHG-UHFFFAOYSA-N
XLogP5.66
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.27
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one (CID 122193720) is 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1N(C)C(=O)CN2c1ccc(Br)cc1Br.
What is the InChIKey of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is RSHLUFXLPYPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Br2N4O/c1-5-7-10-26(6-2)18-11-14(3)24-21-20(18)25(4)19(28)13-27(21)17-9-8-15(22)12-16(17)23/h8-9,11-12H,5-7,10,13H2,1-4H3.
What are the key properties of 8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one?
8-[butyl(ethyl)amino]-4-(2,4-dibromophenyl)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 510.27 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 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)-1,6-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 122193720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).