N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide

C25H24N4O2 — CID 46393790

IUPACN-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)c1
InChIInChI=1S/C25H24N4O2/c1-15(2)29-23-21(6-5-11-26-23)28-22(25(29)31)18-7-9-19(10-8-18)24(30)27-20-13-16(3)12-17(4)14-20/h5-15H,1-4H3,(H,27,30)
InChIKeyUGTIXNZSOTUDDB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.91
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide

N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (PubChem CID 46393790) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
PubChem CID46393790
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)c1
InChIInChI=1S/C25H24N4O2/c1-15(2)29-23-21(6-5-11-26-23)28-22(25(29)31)18-7-9-19(10-8-18)24(30)27-20-13-16(3)12-17(4)14-20/h5-15H,1-4H3,(H,27,30)
InChIKeyUGTIXNZSOTUDDB-UHFFFAOYSA-N
XLogP4.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide (CID 46393790) is N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
The InChIKey is UGTIXNZSOTUDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15(2)29-23-21(6-5-11-26-23)28-22(25(29)31)18-7-9-19(10-8-18)24(30)27-20-13-16(3)12-17(4)14-20/h5-15H,1-4H3,(H,27,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide?
N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide is sourced from PubChem (CID 46393790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).