1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone

C22H24N6O — CID 167370492

About 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone

1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 167370492) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 167370492
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(c2nc(Nc3cncc(C)c3)cc(-c3cccnc3)n2)C1
• InChI: InChI=1S/C22H24N6O/c1-15-9-19(13-24-11-15)25-21-10-20(17-5-3-7-23-12-17)26-22(27-21)18-6-4-8-28(14-18)16(2)29/h3,5,7,9-13,18H,4,6,8,14H2,1-2H3,(H,25,26,27)
• InChIKey: KCBJTSUJHWCCDD-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone (CID 167370492) is 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(Nc3cncc(C)c3)cc(-c3cccnc3)n2)C1.

What is the InChIKey of 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is KCBJTSUJHWCCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-9-19(13-24-11-15)25-21-10-20(17-5-3-7-23-12-17)26-22(27-21)18-6-4-8-28(14-18)16(2)29/h3,5,7,9-13,18H,4,6,8,14H2,1-2H3,(H,25,26,27).

What are the key properties of 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?

1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 388.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167370492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).