N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide

C23H31N7O2 — CID 90885941

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide (PubChem CID 90885941) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide
• PubChem CID: 90885941
• Molecular Formula: C23H31N7O2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.25
• IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide
• SMILES: CCN(CC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1)N1CCCCC1
• InChI: InChI=1S/C23H31N7O2/c1-5-28(29-11-7-6-8-12-29)15-22(31)24-20-14-21(30-17(3)13-16(2)27-30)26-23(25-20)19-10-9-18(4)32-19/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H,24,25,26,31)
• InChIKey: NLQGMJOVEFGDAX-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide?

The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide (CID 90885941) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide.

What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide?

The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide is CCN(CC(=O)Nc1cc(-n2nc(C)cc2C)nc(-c2ccc(C)o2)n1)N1CCCCC1.

What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide?

The InChIKey is NLQGMJOVEFGDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-5-28(29-11-7-6-8-12-29)15-22(31)24-20-14-21(30-17(3)13-16(2)27-30)26-23(25-20)19-10-9-18(4)32-19/h9-10,13-14H,5-8,11-12,15H2,1-4H3,(H,24,25,26,31).

What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide?

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide has a molecular weight of 437.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide is sourced from PubChem (CID 90885941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).