3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide

C28H28N4O2 — CID 75095972

About 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide

3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide (PubChem CID 75095972) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
• PubChem CID: 75095972
• Molecular Formula: C28H28N4O2
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.22
• IUPAC Name: 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
• SMILES: COCc1ccccc1-c1cc(C(=O)NC(C)c2cnc(C)nc2)cc(-c2ccc(C)cn2)c1
• InChI: InChI=1S/C28H28N4O2/c1-18-9-10-27(31-14-18)23-11-22(26-8-6-5-7-21(26)17-34-4)12-24(13-23)28(33)32-19(2)25-15-29-20(3)30-16-25/h5-16,19H,17H2,1-4H3,(H,32,33)
• InChIKey: MDVJRDOKDVPBDI-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The IUPAC name of 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide (CID 75095972) is 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide.

What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The canonical SMILES for 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide is COCc1ccccc1-c1cc(C(=O)NC(C)c2cnc(C)nc2)cc(-c2ccc(C)cn2)c1.

What is the InChIKey of 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The InChIKey is MDVJRDOKDVPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-9-10-27(31-14-18)23-11-22(26-8-6-5-7-21(26)17-34-4)12-24(13-23)28(33)32-19(2)25-15-29-20(3)30-16-25/h5-16,19H,17H2,1-4H3,(H,32,33).

What are the key properties of 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide?

3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide is sourced from PubChem (CID 75095972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).