2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

C18H23F4N5O2 — CID 177253596

About 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide

2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 177253596) has the molecular formula C18H23F4N5O2 and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
• PubChem CID: 177253596
• Molecular Formula: C18H23F4N5O2
• Molecular Weight: 417.41 g/mol
• Exact Mass: 417.18
• IUPAC Name: 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
• SMILES: NC(C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)CC1
• InChI: InChI=1S/C18H23F4N5O2/c19-12-3-1-11(2-4-12)15(23)16(28)26-14-7-10(5-6-24-14)8-27-9-13(18(20,21)22)25-17(27)29/h5-7,11-13,15H,1-4,8-9,23H2,(H,25,29)(H,24,26,28)/t11?,12?,13-,15?/m0/s1
• InChIKey: XGVHIBUODGXQIH-WRSKWOSUSA-N
• XLogP: 2.33
• TPSA: 100.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.41
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?

The IUPAC name of 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide (CID 177253596) is 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide.

What is the SMILES notation for 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?

The canonical SMILES for 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is NC(C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1)C1CCC(F)CC1.

What is the InChIKey of 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?

The InChIKey is XGVHIBUODGXQIH-WRSKWOSUSA-N. The full InChI is InChI=1S/C18H23F4N5O2/c19-12-3-1-11(2-4-12)15(23)16(28)26-14-7-10(5-6-24-14)8-27-9-13(18(20,21)22)25-17(27)29/h5-7,11-13,15H,1-4,8-9,23H2,(H,25,29)(H,24,26,28)/t11?,12?,13-,15?/m0/s1.

What are the key properties of 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide?

2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 417.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 177253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).