N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide

C131H146Cl2F3N15O8 — CID 160837883

About N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide

N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide (PubChem CID 160837883) has the molecular formula C131H146Cl2F3N15O8 and a molecular weight of 2186.61 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
• PubChem CID: 160837883
• Molecular Formula: C131H146Cl2F3N15O8
• Molecular Weight: 2186.61 g/mol
• Exact Mass: 2184.08
• IUPAC Name: N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
• SMILES: CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.CC(C)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1.CCc1ccnc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.COc1ccc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)cn1.Cc1cc(C(F)(F)F)cnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)nc(C)n1
• InChI: InChI=1S/C20H21F3N2O.C20H24N2O.C19H23N3O.C19H22N2O2.2C18H19ClN2O.C17H18N2O/c1-13-11-16(20(21,22)23)12-24-17(13)25-18(26)15-7-5-14(6-8-15)9-10-19(2,3)4;1-5-15-11-13-21-18(14-15)22-19(23)17-8-6-16(7-9-17)10-12-20(2,3)4;1-13-12-17(21-14(2)20-13)22-18(23)16-8-6-15(7-9-16)10-11-19(3,4)5;1-19(2,3)12-11-14-5-7-15(8-6-14)18(22)21-16-9-10-17(23-4)20-13-16;1-18(2,3)10-8-13-4-6-14(7-5-13)17(22)21-15-9-11-20-16(19)12-15;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-15-8-9-16(19)20-12-15;1-13(2)3-4-14-5-7-15(8-6-14)17(20)19-16-9-11-18-12-10-16/h5-12H,1-4H3,(H,24,25,26);6-14H,5H2,1-4H3,(H,21,22,23);6-12H,1-5H3,(H,20,21,22,23);5-13H,1-4H3,(H,21,22);4-12H,1-3H3,(H,20,21,22);4-12H,1-3H3,(H,21,22);3-13H,1-2H3,(H,18,19,20)/b10-9+;12-10+;11-10+;12-11+;10-8+;11-10+;4-3+
• InChIKey: SHQJWLUEWWHYOQ-YLBOBNSJSA-N
• XLogP: 33.58
• TPSA: 316.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.61
LogP ≤ 5	33.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide?

The IUPAC name of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide (CID 160837883) is N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide.

What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide?

The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide is CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.CC(C)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1.CCc1ccnc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.COc1ccc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)cn1.Cc1cc(C(F)(F)F)cnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)nc(C)n1.

What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide?

The InChIKey is SHQJWLUEWWHYOQ-YLBOBNSJSA-N. The full InChI is InChI=1S/C20H21F3N2O.C20H24N2O.C19H23N3O.C19H22N2O2.2C18H19ClN2O.C17H18N2O/c1-13-11-16(20(21,22)23)12-24-17(13)25-18(26)15-7-5-14(6-8-15)9-10-19(2,3)4;1-5-15-11-13-21-18(14-15)22-19(23)17-8-6-16(7-9-17)10-12-20(2,3)4;1-13-12-17(21-14(2)20-13)22-18(23)16-8-6-15(7-9-16)10-11-19(3,4)5;1-19(2,3)12-11-14-5-7-15(8-6-14)18(22)21-16-9-10-17(23-4)20-13-16;1-18(2,3)10-8-13-4-6-14(7-5-13)17(22)21-15-9-11-20-16(19)12-15;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-15-8-9-16(19)20-12-15;1-13(2)3-4-14-5-7-15(8-6-14)17(20)19-16-9-11-18-12-10-16/h5-12H,1-4H3,(H,24,25,26);6-14H,5H2,1-4H3,(H,21,22,23);6-12H,1-5H3,(H,20,21,22,23);5-13H,1-4H3,(H,21,22);4-12H,1-3H3,(H,20,21,22);4-12H,1-3H3,(H,21,22);3-13H,1-2H3,(H,18,19,20)/b10-9+;12-10+;11-10+;12-11+;10-8+;11-10+;4-3+.

What are the key properties of N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide?

N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide has a molecular weight of 2186.61 g/mol, XLogP of 33.58, 24 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 160837883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).