2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C24H27N5O2 — CID 92610382

About 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 92610382) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 92610382
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
• SMILES: CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc(-c2cccnc2)n1
• InChI: InChI=1S/C24H27N5O2/c1-25-22-14-21(27-24(28-22)18-7-4-10-26-15-18)19-8-5-11-29(16-19)23(30)13-17-6-3-9-20(12-17)31-2/h3-4,6-7,9-10,12,14-15,19H,5,8,11,13,16H2,1-2H3,(H,25,27,28)/t19-/m0/s1
• InChIKey: IDVZKYZBOVIPIH-IBGZPJMESA-N
• XLogP: 3.54
• TPSA: 80.24 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	417.51
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 92610382) is 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is CNc1cc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc(-c2cccnc2)n1.

What is the InChIKey of 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

The InChIKey is IDVZKYZBOVIPIH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5O2/c1-25-22-14-21(27-24(28-22)18-7-4-10-26-15-18)19-8-5-11-29(16-19)23(30)13-17-6-3-9-20(12-17)31-2/h3-4,6-7,9-10,12,14-15,19H,5,8,11,13,16H2,1-2H3,(H,25,27,28)/t19-/m0/s1.

What are the key properties of 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?

2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 417.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92610382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).