N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C72H64BBr3ClF8IN12O8 — CID 161321167

About N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 161321167) has the molecular formula C72H64BBr3ClF8IN12O8 and a molecular weight of 1790.24 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 161321167
• Molecular Formula: C72H64BBr3ClF8IN12O8
• Molecular Weight: 1790.24 g/mol
• Exact Mass: 1786.12
• IUPAC Name: N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CI.CN(C(=O)c1ccc(F)cc1F)c1cncc(Br)c1.Nc1cncc(Br)c1.Nc1ncc(Br)cc1CC(=O)c1ccc(F)cc1F.O=C(Cl)c1ccc(F)cc1F
• InChI: InChI=1S/C20H16F2N4O2.C13H19BN2O3.2C13H9BrF2N2O.C7H3ClF2O.C5H5BrN2.CH3I/c1-12(27)25-19-8-13(5-6-24-19)14-7-16(11-23-10-14)26(2)20(28)17-4-3-15(21)9-18(17)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-18(10-4-8(14)6-17-7-10)13(19)11-3-2-9(15)5-12(11)16;14-8-3-7(13(17)18-6-8)4-12(19)10-2-1-9(15)5-11(10)16;8-7(11)5-2-1-4(9)3-6(5)10;6-4-1-5(7)3-8-2-4;1-2/h3-11H,1-2H3,(H,24,25,27);6-8H,1-5H3,(H,15,16,17);2-7H,1H3;1-3,5-6H,4H2,(H2,17,18);1-3H;1-3H,7H2;1H3
• InChIKey: VKDXFQKRHSAXMS-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 280.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1790.24
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 161321167) is N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CI.CN(C(=O)c1ccc(F)cc1F)c1cncc(Br)c1.Nc1cncc(Br)c1.Nc1ncc(Br)cc1CC(=O)c1ccc(F)cc1F.O=C(Cl)c1ccc(F)cc1F.

What is the InChIKey of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

The InChIKey is VKDXFQKRHSAXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2.C13H19BN2O3.2C13H9BrF2N2O.C7H3ClF2O.C5H5BrN2.CH3I/c1-12(27)25-19-8-13(5-6-24-19)14-7-16(11-23-10-14)26(2)20(28)17-4-3-15(21)9-18(17)22;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;1-18(10-4-8(14)6-17-7-10)13(19)11-3-2-9(15)5-12(11)16;14-8-3-7(13(17)18-6-8)4-12(19)10-2-1-9(15)5-11(10)16;8-7(11)5-2-1-4(9)3-6(5)10;6-4-1-5(7)3-8-2-4;1-2/h3-11H,1-2H3,(H,24,25,27);6-8H,1-5H3,(H,15,16,17);2-7H,1H3;1-3,5-6H,4H2,(H2,17,18);1-3H;1-3H,7H2;1H3.

What are the key properties of N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?

N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 1790.24 g/mol, XLogP of 16.35, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-acetamido-4-pyridinyl)-3-pyridinyl]-2,4-difluoro-N-methylbenzamide;2-(2-amino-5-bromo-3-pyridinyl)-1-(2,4-difluorophenyl)ethanone;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzamide;2,4-difluorobenzoyl chloride;iodomethane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 161321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).