N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

C26H24N4O — CID 46327073

IUPACN-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)c1
InChIInChI=1S/C26H24N4O/c1-17-6-4-7-20(12-17)24-15-25(28-16-27-24)29-22-9-5-8-21(14-22)26(31)30-23-11-10-18(2)19(3)13-23/h4-16H,1-3H3,(H,30,31)(H,27,28,29)
InChIKeyZSOUJPXOEKFIDO-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.06
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46327073) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46327073
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)c1
InChIInChI=1S/C26H24N4O/c1-17-6-4-7-20(12-17)24-15-25(28-16-27-24)29-22-9-5-8-21(14-22)26(31)30-23-11-10-18(2)19(3)13-23/h4-16H,1-3H3,(H,30,31)(H,27,28,29)
InChIKeyZSOUJPXOEKFIDO-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-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327066
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327207
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92870064
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870057
N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327267
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327362
N-(3-bromophenyl)-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327403

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46327073) is N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(C)c(C)c4)c3)ncn2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is ZSOUJPXOEKFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-17-6-4-7-20(12-17)24-15-25(28-16-27-24)29-22-9-5-8-21(14-22)26(31)30-23-11-10-18(2)19(3)13-23/h4-16H,1-3H3,(H,30,31)(H,27,28,29).
What are the key properties of N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-(3,4-dimethylphenyl)-3-[[6-(3-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-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46327073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).