N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C25H31N7O — CID 71302224

About N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 71302224) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
• PubChem CID: 71302224
• Molecular Formula: C25H31N7O
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.26
• IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
• SMILES: Cc1ccc(NC(=O)CN2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C25H31N7O/c1-18(2)32-13-11-31(12-14-32)17-24(33)28-21-7-6-19(3)23(15-21)30-25-27-10-8-22(29-25)20-5-4-9-26-16-20/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,28,33)(H,27,29,30)
• InChIKey: WGYFYPNXFDKOED-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The IUPAC name of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 71302224) is N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The InChIKey is WGYFYPNXFDKOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-18(2)32-13-11-31(12-14-32)17-24(33)28-21-7-6-19(3)23(15-21)30-25-27-10-8-22(29-25)20-5-4-9-26-16-20/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,28,33)(H,27,29,30).

What are the key properties of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).