N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide

C22H23FN4O2 — CID 157137244

About N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide

N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide (PubChem CID 157137244) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
• PubChem CID: 157137244
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
• SMILES: CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C)cn1
• InChI: InChI=1S/C22H23FN4O2/c1-4-27(16(3)14-29-20-9-6-15(2)13-26-20)22(28)18-8-7-17(23)12-19(18)21-24-10-5-11-25-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
• InChIKey: SDHOPISPYRLILC-INIZCTEOSA-N
• XLogP: 3.92
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?

The IUPAC name of N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide (CID 157137244) is N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide.

What is the SMILES notation for N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?

The canonical SMILES for N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C)cn1.

What is the InChIKey of N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?

The InChIKey is SDHOPISPYRLILC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-4-27(16(3)14-29-20-9-6-15(2)13-26-20)22(28)18-8-7-17(23)12-19(18)21-24-10-5-11-25-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1.

What are the key properties of N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?

N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 157137244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).