6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide

C30H41F3N6O3 — CID 175102649

About 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide

6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide (PubChem CID 175102649) has the molecular formula C30H41F3N6O3 and a molecular weight of 590.69 g/mol. Its IUPAC name is 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
• PubChem CID: 175102649
• Molecular Formula: C30H41F3N6O3
• Molecular Weight: 590.69 g/mol
• Exact Mass: 590.32
• IUPAC Name: 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
• SMILES: CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)C3(C(F)(F)F)CCCC3)C[C@H]2CC)=C(C(=O)N[C@@H]2CCNC2)N1
• InChI: InChI=1S/C30H41F3N6O3/c1-3-23-20-38(27(41)28(30(31,32)33)11-5-6-12-28)16-17-39(23)24-9-13-29(42-4-2,21-8-7-14-34-18-21)37-25(24)26(40)36-22-10-15-35-19-22/h7-9,13-14,18,22-23,35,37H,3-6,10-12,15-17,19-20H2,1-2H3,(H,36,40)/t22-,23-,29?/m1/s1
• InChIKey: WAYODAHHIYNHOY-JEVJGCHESA-N
• XLogP: 3.17
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.69
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide?

The IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide (CID 175102649) is 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide.

What is the SMILES notation for 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide?

The canonical SMILES for 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide is CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)C3(C(F)(F)F)CCCC3)C[C@H]2CC)=C(C(=O)N[C@@H]2CCNC2)N1.

What is the InChIKey of 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide?

The InChIKey is WAYODAHHIYNHOY-JEVJGCHESA-N. The full InChI is InChI=1S/C30H41F3N6O3/c1-3-23-20-38(27(41)28(30(31,32)33)11-5-6-12-28)16-17-39(23)24-9-13-29(42-4-2,21-8-7-14-34-18-21)37-25(24)26(40)36-22-10-15-35-19-22/h7-9,13-14,18,22-23,35,37H,3-6,10-12,15-17,19-20H2,1-2H3,(H,36,40)/t22-,23-,29?/m1/s1.

What are the key properties of 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide?

6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide has a molecular weight of 590.69 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175102649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).