N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C54H75BClF3N10O10S2 — CID 159172820

About N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159172820) has the molecular formula C54H75BClF3N10O10S2 and a molecular weight of 1191.65 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 159172820
• Molecular Formula: C54H75BClF3N10O10S2
• Molecular Weight: 1191.65 g/mol
• Exact Mass: 1190.48
• IUPAC Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NS(C)(=O)=O)nc(N4CCOCC4)c3)c2)C1.CS(=O)(=O)Nc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C24H33N5O4S.C20H28BF3N2O3.C10H14ClN3O3S/c1-4-18-7-8-29(16-18)24(30)25-20-6-5-17(2)21(15-20)19-13-22(27-34(3,31)32)26-23(14-19)28-9-11-33-12-10-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-18(15,16)13-9-6-8(11)7-10(12-9)14-2-4-17-5-3-14/h5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,30)(H,26,27);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7H,2-5H2,1H3,(H,12,13)/t18-;14-;/m10./s1
• InChIKey: KLXDFRKMTVVSKR-FUHOWXEXSA-N
• XLogP: 8.57
• TPSA: 226.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.65
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159172820) is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NS(C)(=O)=O)nc(N4CCOCC4)c3)c2)C1.CS(=O)(=O)Nc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is KLXDFRKMTVVSKR-FUHOWXEXSA-N. The full InChI is InChI=1S/C24H33N5O4S.C20H28BF3N2O3.C10H14ClN3O3S/c1-4-18-7-8-29(16-18)24(30)25-20-6-5-17(2)21(15-20)19-13-22(27-34(3,31)32)26-23(14-19)28-9-11-33-12-10-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-18(15,16)13-9-6-8(11)7-10(12-9)14-2-4-17-5-3-14/h5-6,13-15,18H,4,7-12,16H2,1-3H3,(H,25,30)(H,26,27);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);6-7H,2-5H2,1H3,(H,12,13)/t18-;14-;/m10./s1.

What are the key properties of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1191.65 g/mol, XLogP of 8.57, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanesulfonamide;(3R)-3-ethyl-N-[3-[2-(methanesulfonamido)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 159172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).