N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

C129H121Cl2F4N29O13S5 — CID 160698780

About N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide

N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 160698780) has the molecular formula C129H121Cl2F4N29O13S5 and a molecular weight of 2592.81 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 160698780
• Molecular Formula: C129H121Cl2F4N29O13S5
• Molecular Weight: 2592.81 g/mol
• Exact Mass: 2589.76
• IUPAC Name: N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2C)ccn1.Cc1c(-c2ccnc(Cc3ccncn3)c2)cnc(Cl)c1NS(=O)(=O)c1ccccc1.Cc1ccc(Nc2cc(-c3cnc(C)c(CS(=O)(=O)c4ccc(F)cc4F)c3)ccn2)nn1.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1CS(=O)(=O)N(C)C.Cc1ncc(-c2ccnc(Nc3cnccn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(N(C)C)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1
• InChI: InChI=1S/C24H27N7O.C23H19F2N5O2S.C22H18ClN5O2S.C22H17F2N5O2S.C20H18ClN3O3S.C18H22N4O3S/c1-15-25-8-6-20(28-15)29-21-10-17(5-7-26-21)18-9-19(22(27-14-18)30(2)3)23(32)31(4)24-11-16(12-24)13-24;1-14-3-6-22(30-29-14)28-23-10-16(7-8-26-23)17-9-18(15(2)27-12-17)13-33(31,32)21-5-4-19(24)11-20(21)25;1-15-20(16-7-10-25-18(11-16)12-17-8-9-24-14-27-17)13-26-22(23)21(15)28-31(29,30)19-5-3-2-4-6-19;1-14-17(13-32(30,31)20-3-2-18(23)10-19(20)24)8-16(11-28-14)15-4-5-26-21(9-15)29-22-12-25-6-7-27-22;1-13(25)10-16-11-15(8-9-22-16)18-12-23-20(21)19(14(18)2)24-28(26,27)17-6-4-3-5-7-17;1-12-16(11-26(24,25)22(2)3)8-15(10-20-12)14-6-7-19-17(9-14)21-18(23)13-4-5-13/h5-10,14,16H,11-13H2,1-4H3,(H,25,26,28,29);3-12H,13H2,1-2H3,(H,26,28,30);2-11,13-14,28H,12H2,1H3;2-12H,13H2,1H3,(H,26,27,29);3-9,11-12,24H,10H2,1-2H3;6-10,13H,4-5,11H2,1-3H3,(H,19,21,23)
• InChIKey: RQIKWNWRCWCXLB-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 561.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2592.81
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide (CID 160698780) is N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is CC(=O)Cc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2C)ccn1.Cc1c(-c2ccnc(Cc3ccncn3)c2)cnc(Cl)c1NS(=O)(=O)c1ccccc1.Cc1ccc(Nc2cc(-c3cnc(C)c(CS(=O)(=O)c4ccc(F)cc4F)c3)ccn2)nn1.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1CS(=O)(=O)N(C)C.Cc1ncc(-c2ccnc(Nc3cnccn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(N(C)C)c(C(=O)N(C)C45CC(C4)C5)c3)ccn2)n1.

What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is RQIKWNWRCWCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C23H19F2N5O2S.C22H18ClN5O2S.C22H17F2N5O2S.C20H18ClN3O3S.C18H22N4O3S/c1-15-25-8-6-20(28-15)29-21-10-17(5-7-26-21)18-9-19(22(27-14-18)30(2)3)23(32)31(4)24-11-16(12-24)13-24;1-14-3-6-22(30-29-14)28-23-10-16(7-8-26-23)17-9-18(15(2)27-12-17)13-33(31,32)21-5-4-19(24)11-20(21)25;1-15-20(16-7-10-25-18(11-16)12-17-8-9-24-14-27-17)13-26-22(23)21(15)28-31(29,30)19-5-3-2-4-6-19;1-14-17(13-32(30,31)20-3-2-18(23)10-19(20)24)8-16(11-28-14)15-4-5-26-21(9-15)29-22-12-25-6-7-27-22;1-13(25)10-16-11-15(8-9-22-16)18-12-23-20(21)19(14(18)2)24-28(26,27)17-6-4-3-5-7-17;1-12-16(11-26(24,25)22(2)3)8-15(10-20-12)14-6-7-19-17(9-14)21-18(23)13-4-5-13/h5-10,14,16H,11-13H2,1-4H3,(H,25,26,28,29);3-12H,13H2,1-2H3,(H,26,28,30);2-11,13-14,28H,12H2,1H3;2-12H,13H2,1H3,(H,26,27,29);3-9,11-12,24H,10H2,1-2H3;6-10,13H,4-5,11H2,1-3H3,(H,19,21,23).

What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide?

N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 2592.81 g/mol, XLogP of 22.98, 36 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-bicyclo[1.1.1]pentanyl)-2-(dimethylamino)-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[2-chloro-4-methyl-5-[2-(pyrimidin-4-ylmethyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]-6-methylpyridazin-3-amine;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]pyrazin-2-amine;N-[4-[5-(dimethylsulfamoylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 160698780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).