N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

C22H26F3N3O2 — CID 146302602

About N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 146302602) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 146302602
• Molecular Formula: C22H26F3N3O2
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.20
• IUPAC Name: N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ncc(N2CC[C@@H](NC(=O)Cc3ccc(C(C)C)cc3)C2)cc1C(F)(F)F
• InChI: InChI=1S/C22H26F3N3O2/c1-14(2)16-6-4-15(5-7-16)10-20(29)27-17-8-9-28(13-17)18-11-19(22(23,24)25)21(30-3)26-12-18/h4-7,11-12,14,17H,8-10,13H2,1-3H3,(H,27,29)/t17-/m1/s1
• InChIKey: MGPAALFCKNWPHR-QGZVFWFLSA-N
• XLogP: 4.17
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 146302602) is N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is COc1ncc(N2CC[C@@H](NC(=O)Cc3ccc(C(C)C)cc3)C2)cc1C(F)(F)F.

What is the InChIKey of N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is MGPAALFCKNWPHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-14(2)16-6-4-15(5-7-16)10-20(29)27-17-8-9-28(13-17)18-11-19(22(23,24)25)21(30-3)26-12-18/h4-7,11-12,14,17H,8-10,13H2,1-3H3,(H,27,29)/t17-/m1/s1.

What are the key properties of N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?

N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 421.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 146302602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).