3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C28H25N3O3 — CID 92882436

About 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 92882436) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• PubChem CID: 92882436
• Molecular Formula: C28H25N3O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.19
• IUPAC Name: 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• SMILES: COc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)n2)c1
• InChI: InChI=1S/C28H25N3O3/c1-33-22-11-6-12-23(18-22)34-26-15-16-29-27(31-26)20-9-4-10-21(17-20)28(32)30-25-14-5-8-19-7-2-3-13-24(19)25/h2-4,6-7,9-13,15-18,25H,5,8,14H2,1H3,(H,30,32)/t25-/m1/s1
• InChIKey: RQUITDLGISLJBF-RUZDIDTESA-N
• XLogP: 5.75
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The IUPAC name of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 92882436) is 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

What is the SMILES notation for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The canonical SMILES for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1cccc(Oc2ccnc(-c3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)n2)c1.

What is the InChIKey of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The InChIKey is RQUITDLGISLJBF-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25N3O3/c1-33-22-11-6-12-23(18-22)34-26-15-16-29-27(31-26)20-9-4-10-21(17-20)28(32)30-25-14-5-8-19-7-2-3-13-24(19)25/h2-4,6-7,9-13,15-18,25H,5,8,14H2,1H3,(H,30,32)/t25-/m1/s1.

What are the key properties of 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 92882436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).