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

C22H30N4O — CID 46872036

IUPAC8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1C
InChIInChI=1S/C22H30N4O/c1-6-8-11-25(7-2)19-13-17(5)23-22-21(19)24-20(27)14-26(22)18-10-9-15(3)12-16(18)4/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27)
InChIKeyVQWFJCHKPPMPFF-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.72
Rot. Bonds6

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

8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 46872036) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID46872036
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1C
InChIInChI=1S/C22H30N4O/c1-6-8-11-25(7-2)19-13-17(5)23-22-21(19)24-20(27)14-26(22)18-10-9-15(3)12-16(18)4/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27)
InChIKeyVQWFJCHKPPMPFF-UHFFFAOYSA-N
XLogP4.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 46872036) is 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1C.
What is the InChIKey of 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is VQWFJCHKPPMPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-6-8-11-25(7-2)19-13-17(5)23-22-21(19)24-20(27)14-26(22)18-10-9-15(3)12-16(18)4/h9-10,12-13H,6-8,11,14H2,1-5H3,(H,24,27).
What are the key properties of 8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
8-[butyl(ethyl)amino]-4-(2,4-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 366.51 g/mol, XLogP of 4.72, 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-dimethylphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 46872036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).