2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide

C20H26F3N5O2 — CID 112835151

About 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 112835151) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 112835151
• Molecular Formula: C20H26F3N5O2
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.20
• IUPAC Name: 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
• SMILES: O=C(NC1CC1)C1CCCN1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C20H26F3N5O2/c21-20(22,23)13-3-6-17(24-12-13)27-10-7-15(8-11-27)26-19(30)28-9-1-2-16(28)18(29)25-14-4-5-14/h3,6,12,14-16H,1-2,4-5,7-11H2,(H,25,29)(H,26,30)
• InChIKey: YXUOKEUSVFOEJC-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide (CID 112835151) is 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide is O=C(NC1CC1)C1CCCN1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.

What is the InChIKey of 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is YXUOKEUSVFOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c21-20(22,23)13-3-6-17(24-12-13)27-10-7-15(8-11-27)26-19(30)28-9-1-2-16(28)18(29)25-14-4-5-14/h3,6,12,14-16H,1-2,4-5,7-11H2,(H,25,29)(H,26,30).

What are the key properties of 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide?

2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 112835151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).