4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one

C22H20N4O — CID 87054681

IUPAC4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
SMILESCc1cc(C)cc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C22H20N4O/c1-15-10-16(2)12-18(11-15)24-21-22(27)26(14-17-6-4-3-5-7-17)20-13-23-9-8-19(20)25-21/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyAKCKQZAQYBCGAB-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.20
Rot. Bonds4

About 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one

4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054681) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
PubChem CID87054681
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one
SMILESCc1cc(C)cc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C22H20N4O/c1-15-10-16(2)12-18(11-15)24-21-22(27)26(14-17-6-4-3-5-7-17)20-13-23-9-8-19(20)25-21/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyAKCKQZAQYBCGAB-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-(3-fluoro-4-methylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054695
4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054701
4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054692
4-benzyl-2-(3-chloro-4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054693
4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
CID 87054677
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
CID 22172618
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
CID 90073694

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one (CID 87054681) is 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one is Cc1cc(C)cc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is AKCKQZAQYBCGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-10-16(2)12-18(11-15)24-21-22(27)26(14-17-6-4-3-5-7-17)20-13-23-9-8-19(20)25-21/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one?
4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 356.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3,5-dimethylanilino)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).