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

C23H29N3O2 — CID 146302548

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

2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302548) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 146302548
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
• SMILES: CC(C)(O)c1cncc(N2CCC(NC(=O)Cc3ccc(C4CC4)cc3)C2)c1
• InChI: InChI=1S/C23H29N3O2/c1-23(2,28)19-12-21(14-24-13-19)26-10-9-20(15-26)25-22(27)11-16-3-5-17(6-4-16)18-7-8-18/h3-6,12-14,18,20,28H,7-11,15H2,1-2H3,(H,25,27)
• InChIKey: GBPIFKFAFYSFGE-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302548) is 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is CC(C)(O)c1cncc(N2CCC(NC(=O)Cc3ccc(C4CC4)cc3)C2)c1.

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

The InChIKey is GBPIFKFAFYSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,28)19-12-21(14-24-13-19)26-10-9-20(15-26)25-22(27)11-16-3-5-17(6-4-16)18-7-8-18/h3-6,12-14,18,20,28H,7-11,15H2,1-2H3,(H,25,27).

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

2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).