3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide

C26H23N3O3 — CID 53021217

IUPAC3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1
InChIInChI=1S/C26H23N3O3/c1-18-5-3-6-19(13-18)16-27-26(30)21-8-4-7-20(14-21)24-15-25(29-17-28-24)32-23-11-9-22(31-2)10-12-23/h3-15,17H,16H2,1-2H3,(H,27,30)
InChIKeyPBXTUIXOOUMJAX-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.18
Rot. Bonds7

About 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide

3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 53021217) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID53021217
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1
InChIInChI=1S/C26H23N3O3/c1-18-5-3-6-19(13-18)16-27-26(30)21-8-4-7-20(14-21)24-15-25(29-17-28-24)32-23-11-9-22(31-2)10-12-23/h3-15,17H,16H2,1-2H3,(H,27,30)
InChIKeyPBXTUIXOOUMJAX-UHFFFAOYSA-N
XLogP5.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021089
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115089
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide (CID 53021217) is 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(C)c4)c3)ncn2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is PBXTUIXOOUMJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-18-5-3-6-19(13-18)16-27-26(30)21-8-4-7-20(14-21)24-15-25(29-17-28-24)32-23-11-9-22(31-2)10-12-23/h3-15,17H,16H2,1-2H3,(H,27,30).
What are the key properties of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide?
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 53021217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).