N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide

C23H32N6O — CID 95836194

About N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95836194) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
• PubChem CID: 95836194
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
• SMILES: Cc1cccc(Nc2cncc([C@@H]3CCCN3CC(=O)N(C)C3CCCCC3)n2)n1
• InChI: InChI=1S/C23H32N6O/c1-17-8-6-12-21(25-17)27-22-15-24-14-19(26-22)20-11-7-13-29(20)16-23(30)28(2)18-9-4-3-5-10-18/h6,8,12,14-15,18,20H,3-5,7,9-11,13,16H2,1-2H3,(H,25,26,27)/t20-/m0/s1
• InChIKey: NIVQZCWADMYKPW-FQEVSTJZSA-N
• XLogP: 3.85
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?

The IUPAC name of N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 95836194) is N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is Cc1cccc(Nc2cncc([C@@H]3CCCN3CC(=O)N(C)C3CCCCC3)n2)n1.

What is the InChIKey of N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?

The InChIKey is NIVQZCWADMYKPW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-8-6-12-21(25-17)27-22-15-24-14-19(26-22)20-11-7-13-29(20)16-23(30)28(2)18-9-4-3-5-10-18/h6,8,12,14-15,18,20H,3-5,7,9-11,13,16H2,1-2H3,(H,25,26,27)/t20-/m0/s1.

What are the key properties of N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?

N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95836194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).