N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C20H28N6O2 — CID 124970558

About N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 124970558) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 124970558
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1
• InChI: InChI=1S/C20H28N6O2/c1-15(14-28-2)23-19(27)13-26-11-7-16(8-12-26)17-5-3-6-18(24-17)25-20-21-9-4-10-22-20/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3,(H,23,27)(H,21,22,24,25)/t15-/m1/s1
• InChIKey: JQUQERCVUNIYJJ-OAHLLOKOSA-N
• XLogP: 1.95
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 124970558) is N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

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

The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is COC[C@@H](C)NC(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1.

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

The InChIKey is JQUQERCVUNIYJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(14-28-2)23-19(27)13-26-11-7-16(8-12-26)17-5-3-6-18(24-17)25-20-21-9-4-10-22-20/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3,(H,23,27)(H,21,22,24,25)/t15-/m1/s1.

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

N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 124970558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).