N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C26H24N4O — CID 53078214

IUPACN-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H24N4O/c1-17-4-6-20(7-5-17)25-27-13-12-24(30-25)28-22-10-8-21(9-11-22)26(31)29-23-15-18(2)14-19(3)16-23/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyXBOPZUTXNAHOEQ-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.06
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53078214) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53078214
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H24N4O/c1-17-4-6-20(7-5-17)25-27-13-12-24(30-25)28-22-10-8-21(9-11-22)26(31)29-23-15-18(2)14-19(3)16-23/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
InChIKeyXBOPZUTXNAHOEQ-UHFFFAOYSA-N
XLogP6.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 53078214) is N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is XBOPZUTXNAHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-4-6-20(7-5-17)25-27-13-12-24(30-25)28-22-10-8-21(9-11-22)26(31)29-23-15-18(2)14-19(3)16-23/h4-16H,1-3H3,(H,29,31)(H,27,28,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 408.51 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53078214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).