N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide

C26H26N6O3 — CID 170055157

About N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 170055157) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 170055157
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3nc(-c4cnc(N5CCCCC5)n(C)c4=O)ccc3c2)ccn1
• InChI: InChI=1S/C26H26N6O3/c1-17(33)29-24-15-20(10-11-27-24)35-19-7-9-22-18(14-19)6-8-23(30-22)21-16-28-26(31(2)25(21)34)32-12-4-3-5-13-32/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,27,29,33)
• InChIKey: QTDOTZNLWPZMIP-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide (CID 170055157) is N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(-c4cnc(N5CCCCC5)n(C)c4=O)ccc3c2)ccn1.

What is the InChIKey of N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is QTDOTZNLWPZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-17(33)29-24-15-20(10-11-27-24)35-19-7-9-22-18(14-19)6-8-23(30-22)21-16-28-26(31(2)25(21)34)32-12-4-3-5-13-32/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,27,29,33).

What are the key properties of N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(1-methyl-6-oxo-2-piperidin-1-ylpyrimidin-5-yl)quinolin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170055157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).