2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide

C26H35Cl2N5O2 — CID 24740312

About 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide

2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide (PubChem CID 24740312) has the molecular formula C26H35Cl2N5O2 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
• PubChem CID: 24740312
• Molecular Formula: C26H35Cl2N5O2
• Molecular Weight: 520.51 g/mol
• Exact Mass: 519.22
• IUPAC Name: 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
• SMILES: CC(C)C[C@@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
• InChI: InChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/m1/s1
• InChIKey: CHXZDXXFVJJJFD-WBPHRXDCSA-N
• XLogP: 4.08
• TPSA: 91.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?

The IUPAC name of 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide (CID 24740312) is 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide.

What is the SMILES notation for 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?

The canonical SMILES for 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide is CC(C)C[C@@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1.

What is the InChIKey of 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?

The InChIKey is CHXZDXXFVJJJFD-WBPHRXDCSA-N. The full InChI is InChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/m1/s1.

What are the key properties of 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?

2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide has a molecular weight of 520.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1R)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide is sourced from PubChem (CID 24740312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).