(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C26H33N5O — CID 157442942

About (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 157442942) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• PubChem CID: 157442942
• Molecular Formula: C26H33N5O
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.27
• IUPAC Name: (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• SMILES: Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)C2CCCCC2)cc1
• InChI: InChI=1S/C26H33N5O/c1-19-8-10-20(11-9-19)14-15-27-25(21-6-4-3-5-7-21)26(32)30-24-13-12-22(16-28-24)23-17-29-31(2)18-23/h8-13,16-18,21,25,27H,3-7,14-15H2,1-2H3,(H,28,30,32)/t25-/m0/s1
• InChIKey: AXXGTYSTVJIZPZ-VWLOTQADSA-N
• XLogP: 4.51
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The IUPAC name of (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 157442942) is (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The canonical SMILES for (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)C2CCCCC2)cc1.

What is the InChIKey of (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The InChIKey is AXXGTYSTVJIZPZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H33N5O/c1-19-8-10-20(11-9-19)14-15-27-25(21-6-4-3-5-7-21)26(32)30-24-13-12-22(16-28-24)23-17-29-31(2)18-23/h8-13,16-18,21,25,27H,3-7,14-15H2,1-2H3,(H,28,30,32)/t25-/m0/s1.

What are the key properties of (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 431.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-cyclohexyl-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 157442942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).