6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

C31H44F3N7O3 — CID 175103712

About 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (PubChem CID 175103712) has the molecular formula C31H44F3N7O3 and a molecular weight of 619.73 g/mol. Its IUPAC name is 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
• PubChem CID: 175103712
• Molecular Formula: C31H44F3N7O3
• Molecular Weight: 619.73 g/mol
• Exact Mass: 619.35
• IUPAC Name: 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
• SMILES: CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)N3CCCC[C@H]3C(F)(F)F)C[C@H]2CC)=C(C(=O)N[C@@H]2CCN(C)C2)N1
• InChI: InChI=1S/C31H44F3N7O3/c1-4-24-21-39(29(43)41-15-7-6-10-26(41)31(32,33)34)17-18-40(24)25-11-13-30(44-5-2,22-9-8-14-35-19-22)37-27(25)28(42)36-23-12-16-38(3)20-23/h8-9,11,13-14,19,23-24,26,37H,4-7,10,12,15-18,20-21H2,1-3H3,(H,36,42)/t23-,24-,26+,30?/m1/s1
• InChIKey: UBAPUDXNLJIBHI-NPOYDMLCSA-N
• XLogP: 3.40
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.73
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (CID 175103712) is 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.

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

The canonical SMILES for 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)N3CCCC[C@H]3C(F)(F)F)C[C@H]2CC)=C(C(=O)N[C@@H]2CCN(C)C2)N1.

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

The InChIKey is UBAPUDXNLJIBHI-NPOYDMLCSA-N. The full InChI is InChI=1S/C31H44F3N7O3/c1-4-24-21-39(29(43)41-15-7-6-10-26(41)31(32,33)34)17-18-40(24)25-11-13-30(44-5-2,22-9-8-14-35-19-22)37-27(25)28(42)36-23-12-16-38(3)20-23/h8-9,11,13-14,19,23-24,26,37H,4-7,10,12,15-18,20-21H2,1-3H3,(H,36,42)/t23-,24-,26+,30?/m1/s1.

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

6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide has a molecular weight of 619.73 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175103712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).