N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone

C118H122Cl2F4N27O13S4+ — CID 158738560

About N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone

N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 158738560) has the molecular formula C118H122Cl2F4N27O13S4+ and a molecular weight of 2401.62 g/mol. Its IUPAC name is N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone
• PubChem CID: 158738560
• Molecular Formula: C118H122Cl2F4N27O13S4+
• Molecular Weight: 2401.62 g/mol
• Exact Mass: 2398.79
• IUPAC Name: N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone
• SMILES: CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)N(C)C)c2C)ccn1.CC(=O)Nc1cc(-c2cc(CS(=O)(=O)c3ccc(F)cc3F)c(C)[n+](O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCC3)c2)ccn1.CCc1c(-c2ccnc(Nc3ccnc(C)n3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.CCc1c(Cl)ncc(-c2ccnc(Nc3ccnc(C)n3)c2)c1C.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCCCC4)c3)ccn2)n1
• InChI: InChI=1S/C24H20ClF2N5O2S.C22H24N6O.C20H17F2N3O4S.C18H18ClN5.C17H20N4O3S.C17H22N4O3S/c1-3-17-18(15-6-8-29-23(10-15)32-22-7-9-28-14(2)31-22)12-30-24(25)19(17)13-35(33,34)21-5-4-16(26)11-20(21)27;1-15-19(22(29)28-10-4-3-5-11-28)12-18(14-25-15)17-6-8-24-21(13-17)27-20-7-9-23-16(2)26-20;1-12-16(11-30(28,29)19-4-3-17(21)9-18(19)22)7-15(10-25(12)27)14-5-6-23-20(8-14)24-13(2)26;1-4-14-11(2)15(10-22-18(14)19)13-5-7-21-17(9-13)24-16-6-8-20-12(3)23-16;1-12-16(11-25(23,24)21-6-3-7-21)8-15(10-19-12)14-4-5-18-17(9-14)20-13(2)22;1-11(22)8-15-9-14(6-7-18-15)16-10-19-13(3)17(12(16)2)20-25(23,24)21(4)5/h4-12H,3,13H2,1-2H3,(H,28,29,31,32);6-9,12-14H,3-5,10-11H2,1-2H3,(H,23,24,26,27);3-10H,11H2,1-2H3,(H-,23,24,26,27);5-10H,4H2,1-3H3,(H,20,21,23,24);4-5,8-10H,3,6-7,11H2,1-2H3,(H,18,20,22);6-7,9-10,20H,8H2,1-5H3/p+1
• InChIKey: ILZKMDADQVZETF-UHFFFAOYSA-O
• XLogP: 20.73
• TPSA: 529.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.62
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone?

The IUPAC name of N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 158738560) is N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone.

What is the SMILES notation for N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone?

The canonical SMILES for N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)N(C)C)c2C)ccn1.CC(=O)Nc1cc(-c2cc(CS(=O)(=O)c3ccc(F)cc3F)c(C)[n+](O)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCC3)c2)ccn1.CCc1c(-c2ccnc(Nc3ccnc(C)n3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.CCc1c(Cl)ncc(-c2ccnc(Nc3ccnc(C)n3)c2)c1C.Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)N4CCCCC4)c3)ccn2)n1.

What is the InChIKey of N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone?

The InChIKey is ILZKMDADQVZETF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20ClF2N5O2S.C22H24N6O.C20H17F2N3O4S.C18H18ClN5.C17H20N4O3S.C17H22N4O3S/c1-3-17-18(15-6-8-29-23(10-15)32-22-7-9-28-14(2)31-22)12-30-24(25)19(17)13-35(33,34)21-5-4-16(26)11-20(21)27;1-15-19(22(29)28-10-4-3-5-11-28)12-18(14-25-15)17-6-8-24-21(13-17)27-20-7-9-23-16(2)26-20;1-12-16(11-30(28,29)19-4-3-17(21)9-18(19)22)7-15(10-25(12)27)14-5-6-23-20(8-14)24-13(2)26;1-4-14-11(2)15(10-22-18(14)19)13-5-7-21-17(9-13)24-16-6-8-20-12(3)23-16;1-12-16(11-25(23,24)21-6-3-7-21)8-15(10-19-12)14-4-5-18-17(9-14)20-13(2)22;1-11(22)8-15-9-14(6-7-18-15)16-10-19-13(3)17(12(16)2)20-25(23,24)21(4)5/h4-12H,3,13H2,1-2H3,(H,28,29,31,32);6-9,12-14H,3-5,10-11H2,1-2H3,(H,23,24,26,27);3-10H,11H2,1-2H3,(H-,23,24,26,27);5-10H,4H2,1-3H3,(H,20,21,23,24);4-5,8-10H,3,6-7,11H2,1-2H3,(H,18,20,22);6-7,9-10,20H,8H2,1-5H3/p+1.

What are the key properties of N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone?

N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 2401.62 g/mol, XLogP of 20.73, 31 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(azetidin-1-ylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-(6-chloro-5-ethyl-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-1-hydroxy-6-methylpyridin-1-ium-3-yl]-2-pyridinyl]acetamide;3-(dimethylsulfamoylamino)-2,4-dimethyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine;[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158738560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).