N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone

C155H170ClF3N20O6S — CID 159214647

About N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone

N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone (PubChem CID 159214647) has the molecular formula C155H170ClF3N20O6S and a molecular weight of 2533.71 g/mol. Its IUPAC name is N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone
• PubChem CID: 159214647
• Molecular Formula: C155H170ClF3N20O6S
• Molecular Weight: 2533.71 g/mol
• Exact Mass: 2531.30
• IUPAC Name: N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone
• SMILES: C#Cc1cc(-c2cccnc2C(C)C)ccc1F.C#Cc1cc(-c2cccnc2C(C)C)ccn1.CC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.CC(=O)c1cc(-c2cccnc2C(C)C)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cccc(-c2cncnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(N)nc1.CC(C)c1ncccc1-c1ccccc1Cl.CC(C)c1ncccc1-c1cnc(N)c(C(C)(F)F)c1.CCCCNS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1
• InChI: InChI=1S/C18H24N2O2S.C18H22N2O.C16H14FN.C16H18N2O.C15H17F2N3.2C15H16N2O.C15H14N2.C14H14ClN.C13H15N3/c1-4-5-13-20-23(21,22)16-10-8-15(9-11-16)17-7-6-12-19-18(17)14(2)3;1-12(2)18-15(7-6-10-19-18)14-8-9-17(20(4)5)16(11-14)13(3)21;1-4-12-10-13(7-8-15(12)17)14-6-5-9-18-16(14)11(2)3;1-11(2)16-15(5-4-10-17-16)13-6-8-14(9-7-13)18-12(3)19;1-9(2)13-11(5-4-6-19-13)10-7-12(15(3,16)17)14(18)20-8-10;1-10(2)15-13(5-4-7-17-15)12-6-8-16-14(9-12)11(3)18;1-10(2)15-14(8-16-9-17-15)13-6-4-5-12(7-13)11(3)18;1-4-13-10-12(7-9-16-13)14-6-5-8-17-15(14)11(2)3;1-10(2)14-12(7-5-9-16-14)11-6-3-4-8-13(11)15;1-9(2)13-11(4-3-7-15-13)10-5-6-12(14)16-8-10/h6-12,14,20H,4-5,13H2,1-3H3;6-12H,1-5H3;1,5-11H,2-3H3;4-11H,1-3H3,(H,18,19);4-9H,1-3H3,(H2,18,20);2*4-10H,1-3H3;1,5-11H,2-3H3;3-10H,1-2H3;3-9H,1-2H3,(H2,14,16)
• InChIKey: KQXKBSGMWOUMMU-UHFFFAOYSA-N
• XLogP: 37.44
• TPSA: 375.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.71
LogP ≤ 5	37.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone?

The IUPAC name of N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone (CID 159214647) is N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone.

What is the SMILES notation for N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone?

The canonical SMILES for N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone is C#Cc1cc(-c2cccnc2C(C)C)ccc1F.C#Cc1cc(-c2cccnc2C(C)C)ccn1.CC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.CC(=O)c1cc(-c2cccnc2C(C)C)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2C(C)C)ccn1.CC(=O)c1cccc(-c2cncnc2C(C)C)c1.CC(C)c1ncccc1-c1ccc(N)nc1.CC(C)c1ncccc1-c1ccccc1Cl.CC(C)c1ncccc1-c1cnc(N)c(C(C)(F)F)c1.CCCCNS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1.

What is the InChIKey of N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone?

The InChIKey is KQXKBSGMWOUMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.C18H22N2O.C16H14FN.C16H18N2O.C15H17F2N3.2C15H16N2O.C15H14N2.C14H14ClN.C13H15N3/c1-4-5-13-20-23(21,22)16-10-8-15(9-11-16)17-7-6-12-19-18(17)14(2)3;1-12(2)18-15(7-6-10-19-18)14-8-9-17(20(4)5)16(11-14)13(3)21;1-4-12-10-13(7-8-15(12)17)14-6-5-9-18-16(14)11(2)3;1-11(2)16-15(5-4-10-17-16)13-6-8-14(9-7-13)18-12(3)19;1-9(2)13-11(5-4-6-19-13)10-7-12(15(3,16)17)14(18)20-8-10;1-10(2)15-13(5-4-7-17-15)12-6-8-16-14(9-12)11(3)18;1-10(2)15-14(8-16-9-17-15)13-6-4-5-12(7-13)11(3)18;1-4-13-10-12(7-9-16-13)14-6-5-8-17-15(14)11(2)3;1-10(2)14-12(7-5-9-16-14)11-6-3-4-8-13(11)15;1-9(2)13-11(4-3-7-15-13)10-5-6-12(14)16-8-10/h6-12,14,20H,4-5,13H2,1-3H3;6-12H,1-5H3;1,5-11H,2-3H3;4-11H,1-3H3,(H,18,19);4-9H,1-3H3,(H2,18,20);2*4-10H,1-3H3;1,5-11H,2-3H3;3-10H,1-2H3;3-9H,1-2H3,(H2,14,16).

What are the key properties of N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone?

N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone has a molecular weight of 2533.71 g/mol, XLogP of 37.44, 31 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-chlorophenyl)-2-propan-2-ylpyridine;3-(1,1-difluoroethyl)-5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[2-(dimethylamino)-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(3-ethynyl-4-fluorophenyl)-2-propan-2-ylpyridine;2-ethynyl-4-(2-propan-2-yl-3-pyridinyl)pyridine;N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;5-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;1-[4-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]ethanone;1-[3-(4-propan-2-ylpyrimidin-5-yl)phenyl]ethanone is sourced from PubChem (CID 159214647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).