3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

C24H27N5O2 — CID 124963042

About 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 124963042) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 124963042
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: COc1ccccc1CCC(=O)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1
• InChI: InChI=1S/C24H27N5O2/c1-31-21-9-3-2-6-18(21)11-12-24(30)29-15-5-7-19(17-29)20-8-4-10-22(27-20)28-23-16-25-13-14-26-23/h2-4,6,8-10,13-14,16,19H,5,7,11-12,15,17H2,1H3,(H,26,27,28)/t19-/m1/s1
• InChIKey: HNFWAYHKXISPLJ-LJQANCHMSA-N
• XLogP: 3.96
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 124963042) is 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1.

What is the InChIKey of 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is HNFWAYHKXISPLJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-31-21-9-3-2-6-18(21)11-12-24(30)29-15-5-7-19(17-29)20-8-4-10-22(27-20)28-23-16-25-13-14-26-23/h2-4,6,8-10,13-14,16,19H,5,7,11-12,15,17H2,1H3,(H,26,27,28)/t19-/m1/s1.

What are the key properties of 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 417.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124963042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).