2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C25H29N5O — CID 110109850

About 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110109850) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 110109850
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cccc(C)c1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1
• InChI: InChI=1S/C25H29N5O/c1-18-7-5-8-19(2)25(18)27-17-24(31)30-15-12-20(13-16-30)21-9-6-11-23(28-21)29-22-10-3-4-14-26-22/h3-11,14,20,27H,12-13,15-17H2,1-2H3,(H,26,28,29)
• InChIKey: ATSCAKHIEYGRHO-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110109850) is 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cccc(C)c1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1.

What is the InChIKey of 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?

The InChIKey is ATSCAKHIEYGRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-18-7-5-8-19(2)25(18)27-17-24(31)30-15-12-20(13-16-30)21-9-6-11-23(28-21)29-22-10-3-4-14-26-22/h3-11,14,20,27H,12-13,15-17H2,1-2H3,(H,26,28,29).

What are the key properties of 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?

2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 415.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110109850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).