N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate

C75H89BBr5Cl4N13O14 — CID 157201881

About N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate

N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate (PubChem CID 157201881) has the molecular formula C75H89BBr5Cl4N13O14 and a molecular weight of 1948.76 g/mol. Its IUPAC name is N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate.

Molecular Properties

• Compound Name: N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate
• PubChem CID: 157201881
• Molecular Formula: C75H89BBr5Cl4N13O14
• Molecular Weight: 1948.76 g/mol
• Exact Mass: 1941.14
• IUPAC Name: N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate
• SMILES: CC(=O)NC(C)(C)c1nc(Cl)ccc1Br.CC(=O)NC(C)(C)c1nc(Cl)ccc1Br.CC(=O)NC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)NC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1
• InChI: InChI=1S/C18H21N3O3.C14H18BrN3O2.2C10H12BrClN2O.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c1-11(22)21-18(2,3)16-14(13-8-9-24-10-13)6-7-15(19-16)20-17(23)12-4-5-12;1-8(19)18-14(2,3)12-10(15)6-7-11(16-12)17-13(20)9-4-5-9;2*1-6(15)14-10(2,3)9-7(11)4-5-8(12)13-9;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-10,12H,4-5H2,1-3H3,(H,21,22)(H,19,20,23);6-7,9H,4-5H2,1-3H3,(H,18,19)(H,16,17,20);2*4-5H,1-3H3,(H,14,15);3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6)
• InChIKey: AQWUQUIQSZVQCF-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 408.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1948.76
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The IUPAC name of N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate (CID 157201881) is N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate.

What is the SMILES notation for N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The canonical SMILES for N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate is CC(=O)NC(C)(C)c1nc(Cl)ccc1Br.CC(=O)NC(C)(C)c1nc(Cl)ccc1Br.CC(=O)NC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)NC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1.

What is the InChIKey of N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The InChIKey is AQWUQUIQSZVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.C14H18BrN3O2.2C10H12BrClN2O.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c1-11(22)21-18(2,3)16-14(13-8-9-24-10-13)6-7-15(19-16)20-17(23)12-4-5-12;1-8(19)18-14(2,3)12-10(15)6-7-11(16-12)17-13(20)9-4-5-9;2*1-6(15)14-10(2,3)9-7(11)4-5-8(12)13-9;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-10,12H,4-5H2,1-3H3,(H,21,22)(H,19,20,23);6-7,9H,4-5H2,1-3H3,(H,18,19)(H,16,17,20);2*4-5H,1-3H3,(H,14,15);3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6).

What are the key properties of N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate?

N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate has a molecular weight of 1948.76 g/mol, XLogP of 15.21, 17 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-acetamidopropan-2-yl)-5-bromo-2-pyridinyl]cyclopropanecarboxamide;N-[6-(2-acetamidopropan-2-yl)-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;bis(N-[2-(3-bromo-6-chloro-2-pyridinyl)propan-2-yl]acetamide);cyclopropanecarboxamide;furan-3-ylboronic acid;methyl 3-bromo-6-chloropyridine-2-carboxylate is sourced from PubChem (CID 157201881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).