2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide

C26H28N2O5 — CID 140573968

About 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide

2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide (PubChem CID 140573968) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide
• PubChem CID: 140573968
• Molecular Formula: C26H28N2O5
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.20
• IUPAC Name: 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide
• SMILES: Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(N)=O)c(C[C@@H](O)CO)c1
• InChI: InChI=1S/C26H28N2O5/c1-16-5-3-4-6-21(16)23(13-24(31)18-8-10-25(32)28(2)14-18)17-7-9-22(26(27)33)19(11-17)12-20(30)15-29/h3-11,14,20,23,29-30H,12-13,15H2,1-2H3,(H2,27,33)/t20-,23?/m1/s1
• InChIKey: KVSLRADQOQUDND-PPUHSXQSSA-N
• XLogP: 2.09
• TPSA: 122.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide?

The IUPAC name of 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide (CID 140573968) is 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide.

What is the SMILES notation for 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide?

The canonical SMILES for 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide is Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(N)=O)c(C[C@@H](O)CO)c1.

What is the InChIKey of 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide?

The InChIKey is KVSLRADQOQUDND-PPUHSXQSSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-16-5-3-4-6-21(16)23(13-24(31)18-8-10-25(32)28(2)14-18)17-7-9-22(26(27)33)19(11-17)12-20(30)15-29/h3-11,14,20,23,29-30H,12-13,15H2,1-2H3,(H2,27,33)/t20-,23?/m1/s1.

What are the key properties of 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide?

2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2,3-dihydroxypropyl]-4-[3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)-3-oxopropyl]benzamide is sourced from PubChem (CID 140573968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).