4-chloro-6-morpholin-4-ylpyridin-2-amine;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

C63H87BCl2F3N13O11S2 — CID 159281933

About 4-chloro-6-morpholin-4-ylpyridin-2-amine;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

4-chloro-6-morpholin-4-ylpyridin-2-amine;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 159281933) has the molecular formula C63H87BCl2F3N13O11S2 and a molecular weight of 1405.31 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridin-2-amine;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: 4-chloro-6-morpholin-4-ylpyridin-2-amine;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: 159281933
• Molecular Formula: C63H87BCl2F3N13O11S2
• Molecular Weight: 1405.31 g/mol
• Exact Mass: 1403.55
• IUPAC Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;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.Nc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H33N5O4S.C20H28BF3N2O3.C10H14ClN3O3S.C9H12ClN3O/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;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/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);5-6H,1-4H2,(H2,11,12)/t18-;14-;;/m10../s1
• InChIKey: KZAGQRHGKPTURY-FSRSMIIKSA-N
• XLogP: 9.73
• TPSA: 277.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.31
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 159281933) is 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 4-chloro-6-morpholin-4-ylpyridin-2-amine;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.Nc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 KZAGQRHGKPTURY-FSRSMIIKSA-N. The full InChI is InChI=1S/C24H33N5O4S.C20H28BF3N2O3.C10H14ClN3O3S.C9H12ClN3O/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;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/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);5-6H,1-4H2,(H2,11,12)/t18-;14-;;/m10../s1.

What are the key properties of 4-chloro-6-morpholin-4-ylpyridin-2-amine;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?

4-chloro-6-morpholin-4-ylpyridin-2-amine;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 1405.31 g/mol, XLogP of 9.73, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-morpholin-4-ylpyridin-2-amine;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 159281933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).