N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C22H27N7O — CID 110093998

About N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093998) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 110093998
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: Cc1c(NC(=O)CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cnn1C
• InChI: InChI=1S/C22H27N7O/c1-16-19(14-24-28(16)2)26-22(30)15-29-12-9-17(10-13-29)18-6-5-8-21(25-18)27-20-7-3-4-11-23-20/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H,26,30)(H,23,25,27)
• InChIKey: FTLCVOVDTDWFLY-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093998) is N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is Cc1c(NC(=O)CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cnn1C.

What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The InChIKey is FTLCVOVDTDWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-19(14-24-28(16)2)26-22(30)15-29-12-9-17(10-13-29)18-6-5-8-21(25-18)27-20-7-3-4-11-23-20/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H,26,30)(H,23,25,27).

What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 405.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).