N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

C25H21N3O3 — CID 53116901

IUPACN-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccccc4)c3)cn2)c1
InChIInChI=1S/C25H21N3O3/c1-30-22-11-6-12-23(14-22)31-25-27-16-21(17-28-25)19-9-5-10-20(13-19)24(29)26-15-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,26,29)
InChIKeyYETWWMSDAZFGOE-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.87
Rot. Bonds7

About N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide

N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116901) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116901
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccccc4)c3)cn2)c1
InChIInChI=1S/C25H21N3O3/c1-30-22-11-6-12-23(14-22)31-25-27-16-21(17-28-25)19-9-5-10-20(13-19)24(29)26-15-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,26,29)
InChIKeyYETWWMSDAZFGOE-UHFFFAOYSA-N
XLogP4.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116870
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116901) is N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccccc4)c3)cn2)c1.
What is the InChIKey of N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is YETWWMSDAZFGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-22-11-6-12-23(14-22)31-25-27-16-21(17-28-25)19-9-5-10-20(13-19)24(29)26-15-18-7-3-2-4-8-18/h2-14,16-17H,15H2,1H3,(H,26,29).
What are the key properties of N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).