N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C34H41F3N6O3 — CID 146612473

About N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 146612473) has the molecular formula C34H41F3N6O3 and a molecular weight of 638.74 g/mol. Its IUPAC name is N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
• PubChem CID: 146612473
• Molecular Formula: C34H41F3N6O3
• Molecular Weight: 638.74 g/mol
• Exact Mass: 638.32
• IUPAC Name: N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
• SMILES: CCc1ccc(NC(=O)CN(Cc2ccccc2CNC)C(=O)C2(CC(F)(F)F)CCNCC2)cc1CC(=O)Nc1ccccn1
• InChI: InChI=1S/C34H41F3N6O3/c1-3-24-11-12-28(18-27(24)19-30(44)42-29-10-6-7-15-40-29)41-31(45)22-43(21-26-9-5-4-8-25(26)20-38-2)32(46)33(23-34(35,36)37)13-16-39-17-14-33/h4-12,15,18,38-39H,3,13-14,16-17,19-23H2,1-2H3,(H,41,45)(H,40,42,44)
• InChIKey: MFWLQCKDMBFOTP-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 115.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.74
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?

The IUPAC name of N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 146612473) is N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?

The canonical SMILES for N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)CN(Cc2ccccc2CNC)C(=O)C2(CC(F)(F)F)CCNCC2)cc1CC(=O)Nc1ccccn1.

What is the InChIKey of N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?

The InChIKey is MFWLQCKDMBFOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3N6O3/c1-3-24-11-12-28(18-27(24)19-30(44)42-29-10-6-7-15-40-29)41-31(45)22-43(21-26-9-5-4-8-25(26)20-38-2)32(46)33(23-34(35,36)37)13-16-39-17-14-33/h4-12,15,18,38-39H,3,13-14,16-17,19-23H2,1-2H3,(H,41,45)(H,40,42,44).

What are the key properties of N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?

N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 638.74 g/mol, XLogP of 4.83, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-ethyl-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]anilino]-2-oxoethyl]-N-[[2-(methylaminomethyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 146612473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).