4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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

C67H93BCl3F6N13O13S3 — CID 157269733

About 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 157269733) has the molecular formula C67H93BCl3F6N13O13S3 and a molecular weight of 1615.92 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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: 157269733
• Molecular Formula: C67H93BCl3F6N13O13S3
• Molecular Weight: 1615.92 g/mol
• Exact Mass: 1613.52
• IUPAC Name: 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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: CCS(=O)(=O)Cl.CCS(=O)(=O)Nc1cc(-c2cc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)ccc2C)cc(N2CCOCC2)n1.CCS(=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/C25H32F3N5O4S.C20H28BF3N2O3.C11H16ClN3O3S.C9H12ClN3O.C2H5ClO2S/c1-3-38(35,36)31-22-12-19(13-23(30-22)32-8-10-37-11-9-32)21-14-20(5-4-17(21)2)29-24(34)33-7-6-18(16-33)15-25(26,27)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;1-2-19(16,17)14-10-7-9(12)8-11(13-10)15-3-5-18-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-2-6(3,4)5/h4-5,12-14,18H,3,6-11,15-16H2,1-2H3,(H,29,34)(H,30,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8H,2-6H2,1H3,(H,13,14);5-6H,1-4H2,(H2,11,12);2H2,1H3/t18-;14-;;;/m00.../s1
• InChIKey: AYJZGBJFUZFRLN-INCPHHGCSA-N
• XLogP: 11.62
• TPSA: 311.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1615.92
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 157269733) is 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 CCS(=O)(=O)Cl.CCS(=O)(=O)Nc1cc(-c2cc(NC(=O)N3CC[C@@H](CC(F)(F)F)C3)ccc2C)cc(N2CCOCC2)n1.CCS(=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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 AYJZGBJFUZFRLN-INCPHHGCSA-N. The full InChI is InChI=1S/C25H32F3N5O4S.C20H28BF3N2O3.C11H16ClN3O3S.C9H12ClN3O.C2H5ClO2S/c1-3-38(35,36)31-22-12-19(13-23(30-22)32-8-10-37-11-9-32)21-14-20(5-4-17(21)2)29-24(34)33-7-6-18(16-33)15-25(26,27)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;1-2-19(16,17)14-10-7-9(12)8-11(13-10)15-3-5-18-6-4-15;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-2-6(3,4)5/h4-5,12-14,18H,3,6-11,15-16H2,1-2H3,(H,29,34)(H,30,31);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8H,2-6H2,1H3,(H,13,14);5-6H,1-4H2,(H2,11,12);2H2,1H3/t18-;14-;;;/m00.../s1.

What are the key properties of 4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 1615.92 g/mol, XLogP of 11.62, 16 rotatable bonds, 5 hydrogen bond donors, and 20 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)ethanesulfonamide;ethanesulfonyl chloride;(3S)-N-[3-[2-(ethylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)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 157269733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).