4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C22H23N7O2 — CID 67214555

About 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 67214555) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
• PubChem CID: 67214555
• Molecular Formula: C22H23N7O2
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.19
• IUPAC Name: 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
• SMILES: Cc1ccc(C(=O)NCCN2CCNC2=O)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C22H23N7O2/c1-15-4-5-16(20(30)24-9-11-29-12-10-26-22(29)31)13-19(15)28-21-25-8-6-18(27-21)17-3-2-7-23-14-17/h2-8,13-14H,9-12H2,1H3,(H,24,30)(H,26,31)(H,25,27,28)
• InChIKey: AUMBGMQWZRQMCA-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 112.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?

The IUPAC name of 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 67214555) is 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

What is the SMILES notation for 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?

The canonical SMILES for 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is Cc1ccc(C(=O)NCCN2CCNC2=O)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?

The InChIKey is AUMBGMQWZRQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-15-4-5-16(20(30)24-9-11-29-12-10-26-22(29)31)13-19(15)28-21-25-8-6-18(27-21)17-3-2-7-23-14-17/h2-8,13-14H,9-12H2,1H3,(H,24,30)(H,26,31)(H,25,27,28).

What are the key properties of 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?

4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 67214555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).