(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C22H26N6O2 — CID 110239921

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110239921) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 110239921
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: CCc1noc(C)c1C(=O)N1CCCC(c2cc(NC)nc(-c3ccncc3)n2)C1
• InChI: InChI=1S/C22H26N6O2/c1-4-17-20(14(2)30-27-17)22(29)28-11-5-6-16(13-28)18-12-19(23-3)26-21(25-18)15-7-9-24-10-8-15/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25,26)
• InChIKey: DSUISQUMCUPSAD-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 110239921) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCC(c2cc(NC)nc(-c3ccncc3)n2)C1.

What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

The InChIKey is DSUISQUMCUPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-4-17-20(14(2)30-27-17)22(29)28-11-5-6-16(13-28)18-12-19(23-3)26-21(25-18)15-7-9-24-10-8-15/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,25,26).

What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110239921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).