N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

C29H35Cl2N7O2 — CID 146241128

About N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 146241128) has the molecular formula C29H35Cl2N7O2 and a molecular weight of 584.55 g/mol. Its IUPAC name is N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
• PubChem CID: 146241128
• Molecular Formula: C29H35Cl2N7O2
• Molecular Weight: 584.55 g/mol
• Exact Mass: 583.22
• IUPAC Name: N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CCC(N)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
• InChI: InChI=1S/C29H35Cl2N7O2/c1-19(39)33-15-20-2-6-37(7-3-20)18-21-10-27(22-12-23(30)14-24(31)13-22)36-28(11-21)40-26-16-34-29(35-17-26)38-8-4-25(32)5-9-38/h10-14,16-17,20,25H,2-9,15,18,32H2,1H3,(H,33,39)
• InChIKey: QLAKARGLVYPTJM-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 109.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.55
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The IUPAC name of N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (CID 146241128) is N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.

What is the SMILES notation for N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The canonical SMILES for N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(Oc3cnc(N4CCC(N)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.

What is the InChIKey of N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

The InChIKey is QLAKARGLVYPTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35Cl2N7O2/c1-19(39)33-15-20-2-6-37(7-3-20)18-21-10-27(22-12-23(30)14-24(31)13-22)36-28(11-21)40-26-16-34-29(35-17-26)38-8-4-25(32)5-9-38/h10-14,16-17,20,25H,2-9,15,18,32H2,1H3,(H,33,39).

What are the key properties of N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?

N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 584.55 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[[2-[2-(4-aminopiperidin-1-yl)pyrimidin-5-yl]oxy-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 146241128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).