N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C23H25N5O2 — CID 108796605

IUPACN-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-5-17-6-11-20(26-16(4)29)13-21(17)28-22(30)18-7-9-19(10-8-18)27-23-24-14(2)12-15(3)25-23/h6-13H,5H2,1-4H3,(H,26,29)(H,28,30)(H,24,25,27)
InChIKeyDZGVFJLROXLEIS-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.61
Rot. Bonds6

About N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108796605) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108796605
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-5-17-6-11-20(26-16(4)29)13-21(17)28-22(30)18-7-9-19(10-8-18)27-23-24-14(2)12-15(3)25-23/h6-13H,5H2,1-4H3,(H,26,29)(H,28,30)(H,24,25,27)
InChIKeyDZGVFJLROXLEIS-UHFFFAOYSA-N
XLogP4.61
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
2-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoic acid
CID 108807939
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(4-benzamido-2,5-dimethoxyphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796630
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-nitrophenyl)benzamide
CID 108796487
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108796605) is N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is CCc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is DZGVFJLROXLEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-5-17-6-11-20(26-16(4)29)13-21(17)28-22(30)18-7-9-19(10-8-18)27-23-24-14(2)12-15(3)25-23/h6-13H,5H2,1-4H3,(H,26,29)(H,28,30)(H,24,25,27).
What are the key properties of N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 403.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108796605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).