N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate

C139H181BBr5N25O28 — CID 158373803

About N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate

N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate (PubChem CID 158373803) has the molecular formula C139H181BBr5N25O28 and a molecular weight of 3060.46 g/mol. Its IUPAC name is N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate
• PubChem CID: 158373803
• Molecular Formula: C139H181BBr5N25O28
• Molecular Weight: 3060.46 g/mol
• Exact Mass: 3053.95
• IUPAC Name: N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate
• SMILES: CN(Cc1nc(N)ccc1C1CCOC1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1-c1ccoc1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1-c1ccoc1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1Br)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1C1CCOC1)C(=O)OC(C)(C)C.CNCc1nc(NC(=O)C2CC2)ccc1Br.CNCc1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.O=C(Nc1ccc(Br)c(CO)n1)C1CC1.OB(O)c1ccoc1
• InChI: InChI=1S/C20H29N3O4.2C20H25N3O4.C16H22BrN3O3.C16H25N3O3.2C11H14BrN3O.C11H11BrN2O3.C10H11BrN2O2.C4H5BO3/c3*1-20(2,3)27-19(25)23(4)11-16-15(14-9-10-26-12-14)7-8-17(21-16)22-18(24)13-5-6-13;1-16(2,3)23-15(22)20(4)9-12-11(17)7-8-13(18-12)19-14(21)10-5-6-10;1-16(2,3)22-15(20)19(4)9-13-12(5-6-14(17)18-13)11-7-8-21-10-11;2*1-13-6-9-8(12)4-5-10(14-9)15-11(16)7-2-3-7;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;11-7-3-4-9(12-8(7)5-14)13-10(15)6-1-2-6;6-5(7)4-1-2-8-3-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,22,24);2*7-10,12-13H,5-6,11H2,1-4H3,(H,21,22,24);7-8,10H,5-6,9H2,1-4H3,(H,18,19,21);5-6,11H,7-10H2,1-4H3,(H2,17,18);2*4-5,7,13H,2-3,6H2,1H3,(H,14,15,16);4-6H,2-3H2,1H3,(H,13,14,15);3-4,6,14H,1-2,5H2,(H,12,13,15);1-3,6-7H
• InChIKey: GUYHVWXMMNHWHZ-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 691.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3060.46
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate?

The IUPAC name of N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate (CID 158373803) is N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate.

What is the SMILES notation for N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate?

The canonical SMILES for N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate is CN(Cc1nc(N)ccc1C1CCOC1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1-c1ccoc1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1-c1ccoc1)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1Br)C(=O)OC(C)(C)C.CN(Cc1nc(NC(=O)C2CC2)ccc1C1CCOC1)C(=O)OC(C)(C)C.CNCc1nc(NC(=O)C2CC2)ccc1Br.CNCc1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.O=C(Nc1ccc(Br)c(CO)n1)C1CC1.OB(O)c1ccoc1.

What is the InChIKey of N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate?

The InChIKey is GUYHVWXMMNHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4.2C20H25N3O4.C16H22BrN3O3.C16H25N3O3.2C11H14BrN3O.C11H11BrN2O3.C10H11BrN2O2.C4H5BO3/c3*1-20(2,3)27-19(25)23(4)11-16-15(14-9-10-26-12-14)7-8-17(21-16)22-18(24)13-5-6-13;1-16(2,3)23-15(22)20(4)9-12-11(17)7-8-13(18-12)19-14(21)10-5-6-10;1-16(2,3)22-15(20)19(4)9-13-12(5-6-14(17)18-13)11-7-8-21-10-11;2*1-13-6-9-8(12)4-5-10(14-9)15-11(16)7-2-3-7;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;11-7-3-4-9(12-8(7)5-14)13-10(15)6-1-2-6;6-5(7)4-1-2-8-3-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,22,24);2*7-10,12-13H,5-6,11H2,1-4H3,(H,21,22,24);7-8,10H,5-6,9H2,1-4H3,(H,18,19,21);5-6,11H,7-10H2,1-4H3,(H2,17,18);2*4-5,7,13H,2-3,6H2,1H3,(H,14,15,16);4-6H,2-3H2,1H3,(H,13,14,15);3-4,6,14H,1-2,5H2,(H,12,13,15);1-3,6-7H.

What are the key properties of N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate?

N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate has a molecular weight of 3060.46 g/mol, XLogP of 23.96, 37 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-bromo-6-(hydroxymethyl)-2-pyridinyl]cyclopropanecarboxamide;bis(N-[5-bromo-6-(methylaminomethyl)-2-pyridinyl]cyclopropanecarboxamide);tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[3-bromo-6-(cyclopropanecarbonylamino)-2-pyridinyl]methyl]-N-methylcarbamate;bis(tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(furan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate);tert-butyl N-[[6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-methylcarbamate;furan-3-ylboronic acid;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 158373803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).