N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide

C24H24N4O2 — CID 136763352

About N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide

N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 136763352) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 136763352
• Molecular Formula: C24H24N4O2
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.19
• IUPAC Name: N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2C)cc(=O)[nH]1
• InChI: InChI=1S/C24H24N4O2/c1-15-7-3-4-8-17(15)12-23(29)28-21(22-13-24(30)27-16(2)26-22)11-18-14-25-20-10-6-5-9-19(18)20/h3-10,13-14,21,25H,11-12H2,1-2H3,(H,28,29)(H,26,27,30)/t21-/m0/s1
• InChIKey: MZAWXFCHKPKNKT-NRFANRHFSA-N
• XLogP: 3.51
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide (CID 136763352) is N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide is Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2C)cc(=O)[nH]1.

What is the InChIKey of N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide?

The InChIKey is MZAWXFCHKPKNKT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-7-3-4-8-17(15)12-23(29)28-21(22-13-24(30)27-16(2)26-22)11-18-14-25-20-10-6-5-9-19(18)20/h3-10,13-14,21,25H,11-12H2,1-2H3,(H,28,29)(H,26,27,30)/t21-/m0/s1.

What are the key properties of N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide?

N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 136763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).