N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

C26H23N3O3 — CID 53115112

IUPACN-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1cccc(Oc2cc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)c1
InChIInChI=1S/C26H23N3O3/c1-17-11-18(2)13-21(12-17)29-26(30)20-9-7-19(8-10-20)24-15-25(28-16-27-24)32-23-6-4-5-22(14-23)31-3/h4-16H,1-3H3,(H,29,30)
InChIKeyZKTUOIMYNFZRNU-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.81
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53115112) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53115112
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1cccc(Oc2cc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)c1
InChIInChI=1S/C26H23N3O3/c1-17-11-18(2)13-21(12-17)29-26(30)20-9-7-19(8-10-20)24-15-25(28-16-27-24)32-23-6-4-5-22(14-23)31-3/h4-16H,1-3H3,(H,29,30)
InChIKeyZKTUOIMYNFZRNU-UHFFFAOYSA-N
XLogP5.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021136
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
CID 53119921
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115095
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53115112) is N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide is COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3)ncn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is ZKTUOIMYNFZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-11-18(2)13-21(12-17)29-26(30)20-9-7-19(8-10-20)24-15-25(28-16-27-24)32-23-6-4-5-22(14-23)31-3/h4-16H,1-3H3,(H,29,30).
What are the key properties of N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 5.81, 6 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-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53115112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).