3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide

C26H25N5O2 — CID 67523353

About 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide

3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide (PubChem CID 67523353) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide
• PubChem CID: 67523353
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc([C@@H](O)c3ccccn3)c2)nc1
• InChI: InChI=1S/C26H25N5O2/c1-17-6-7-23(31-14-17)20-11-21(25(32)24-5-3-4-9-27-24)13-22(12-20)26(33)28-10-8-19-15-29-18(2)30-16-19/h3-7,9,11-16,25,32H,8,10H2,1-2H3,(H,28,33)/t25-/m1/s1
• InChIKey: LAABQBRQFWGTOG-RUZDIDTESA-N
• XLogP: 3.60
• TPSA: 100.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The IUPAC name of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide (CID 67523353) is 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide.

What is the SMILES notation for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The canonical SMILES for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide is Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc([C@@H](O)c3ccccn3)c2)nc1.

What is the InChIKey of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide?

The InChIKey is LAABQBRQFWGTOG-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-6-7-23(31-14-17)20-11-21(25(32)24-5-3-4-9-27-24)13-22(12-20)26(33)28-10-8-19-15-29-18(2)30-16-19/h3-7,9,11-16,25,32H,8,10H2,1-2H3,(H,28,33)/t25-/m1/s1.

What are the key properties of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide?

3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)-N-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide is sourced from PubChem (CID 67523353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).