(3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide

C136H157BrN16O27S5 — CID 159732963

About (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide

(3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide (PubChem CID 159732963) has the molecular formula C136H157BrN16O27S5 and a molecular weight of 2688.08 g/mol. Its IUPAC name is (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
• PubChem CID: 159732963
• Molecular Formula: C136H157BrN16O27S5
• Molecular Weight: 2688.08 g/mol
• Exact Mass: 2684.92
• IUPAC Name: (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
• SMILES: CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)c4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCNCc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N[C@@H](CO)Cc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N[C@H](CO)Cc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(Br)cc4)cnc3OC(C)(C)[C@H]2O)cc1
• InChI: InChI=1S/C28H34N4O5S.2C28H33N3O6S.C27H31N3O5S.C25H26BrN3O5S/c1-4-19-10-12-22(13-11-19)38(35,36)32-24-23-16-21(18-31-27(23)37-28(2,3)25(24)33)26(34)30-15-14-29-17-20-8-6-5-7-9-20;2*1-4-18-10-12-22(13-11-18)38(35,36)31-24-23-15-20(16-29-27(23)37-28(2,3)25(24)33)26(34)30-21(17-32)14-19-8-6-5-7-9-19;1-5-18-12-14-21(15-13-18)36(33,34)29-23-22-16-19(17-28-25(22)35-27(3,4)24(23)31)26(32)30(6-2)20-10-8-7-9-11-20;1-4-15-5-11-19(12-6-15)35(32,33)29-21-20-13-16(14-27-24(20)34-25(2,3)22(21)30)23(31)28-18-9-7-17(26)8-10-18/h5-13,16,18,24-25,29,32-33H,4,14-15,17H2,1-3H3,(H,30,34);2*5-13,15-16,21,24-25,31-33H,4,14,17H2,1-3H3,(H,30,34);7-17,23-24,29,31H,5-6H2,1-4H3;5-14,21-22,29-30H,4H2,1-3H3,(H,28,31)/t24-,25+;21-,24+,25-;21-,24-,25+;23-,24+;21-,22+/m10111/s1
• InChIKey: NBLWJHAJOVEVBO-KNMVTUOWSA-N
• XLogP: 15.85
• TPSA: 631.80 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2688.08
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The IUPAC name of (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide (CID 159732963) is (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide.

What is the SMILES notation for (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The canonical SMILES for (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)c4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCNCc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N[C@@H](CO)Cc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N[C@H](CO)Cc4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(Br)cc4)cnc3OC(C)(C)[C@H]2O)cc1.

What is the InChIKey of (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The InChIKey is NBLWJHAJOVEVBO-KNMVTUOWSA-N. The full InChI is InChI=1S/C28H34N4O5S.2C28H33N3O6S.C27H31N3O5S.C25H26BrN3O5S/c1-4-19-10-12-22(13-11-19)38(35,36)32-24-23-16-21(18-31-27(23)37-28(2,3)25(24)33)26(34)30-15-14-29-17-20-8-6-5-7-9-20;2*1-4-18-10-12-22(13-11-18)38(35,36)31-24-23-15-20(16-29-27(23)37-28(2,3)25(24)33)26(34)30-21(17-32)14-19-8-6-5-7-9-19;1-5-18-12-14-21(15-13-18)36(33,34)29-23-22-16-19(17-28-25(22)35-27(3,4)24(23)31)26(32)30(6-2)20-10-8-7-9-11-20;1-4-15-5-11-19(12-6-15)35(32,33)29-21-20-13-16(14-27-24(20)34-25(2,3)22(21)30)23(31)28-18-9-7-17(26)8-10-18/h5-13,16,18,24-25,29,32-33H,4,14-15,17H2,1-3H3,(H,30,34);2*5-13,15-16,21,24-25,31-33H,4,14,17H2,1-3H3,(H,30,34);7-17,23-24,29,31H,5-6H2,1-4H3;5-14,21-22,29-30H,4H2,1-3H3,(H,28,31)/t24-,25+;21-,24+,25-;21-,24-,25+;23-,24+;21-,22+/m10111/s1.

What are the key properties of (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

(3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide has a molecular weight of 2688.08 g/mol, XLogP of 15.85, 41 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 159732963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).