N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C24H34N6O — CID 110264925

About N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110264925) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 110264925
• Molecular Formula: C24H34N6O
• Molecular Weight: 422.58 g/mol
• Exact Mass: 422.28
• IUPAC Name: N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)N(C)C3CCCCC3)C2)n1
• InChI: InChI=1S/C24H34N6O/c1-18-14-20(28-24-25-11-7-12-26-24)15-22(27-18)19-8-6-13-30(16-19)17-23(31)29(2)21-9-4-3-5-10-21/h7,11-12,14-15,19,21H,3-6,8-10,13,16-17H2,1-2H3,(H,25,26,27,28)
• InChIKey: WHDISMRIMGVCFG-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.58
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The IUPAC name of N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110264925) is N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The canonical SMILES for N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)N(C)C3CCCCC3)C2)n1.

What is the InChIKey of N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The InChIKey is WHDISMRIMGVCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-18-14-20(28-24-25-11-7-12-26-24)15-22(27-18)19-8-6-13-30(16-19)17-23(31)29(2)21-9-4-3-5-10-21/h7,11-12,14-15,19,21H,3-6,8-10,13,16-17H2,1-2H3,(H,25,26,27,28).

What are the key properties of N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 422.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110264925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).