2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C23H26F3N3O2 — CID 146302628

About 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302628) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 146302628
• Molecular Formula: C23H26F3N3O2
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.20
• IUPAC Name: 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
• SMILES: COC[C@@]1(NC(=O)Cc2ccc(C3CC3)cc2)CCN(c2cncc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C23H26F3N3O2/c1-31-15-22(28-21(30)10-16-2-4-17(5-3-16)18-6-7-18)8-9-29(14-22)20-11-19(12-27-13-20)23(24,25)26/h2-5,11-13,18H,6-10,14-15H2,1H3,(H,28,30)/t22-/m1/s1
• InChIKey: NTCCROWNPYDEMU-JOCHJYFZSA-N
• XLogP: 3.93
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302628) is 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is COC[C@@]1(NC(=O)Cc2ccc(C3CC3)cc2)CCN(c2cncc(C(F)(F)F)c2)C1.

What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?

The InChIKey is NTCCROWNPYDEMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-31-15-22(28-21(30)10-16-2-4-17(5-3-16)18-6-7-18)8-9-29(14-22)20-11-19(12-27-13-20)23(24,25)26/h2-5,11-13,18H,6-10,14-15H2,1H3,(H,28,30)/t22-/m1/s1.

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

2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).