tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C121H167BBr2N18O34 — CID 158589382

About tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 158589382) has the molecular formula C121H167BBr2N18O34 and a molecular weight of 2588.38 g/mol. Its IUPAC name is tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
• PubChem CID: 158589382
• Molecular Formula: C121H167BBr2N18O34
• Molecular Weight: 2588.38 g/mol
• Exact Mass: 2585.04
• IUPAC Name: tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)B(O)c1ccoc1.CC(C)(C)OC(=O)Nc1ccc(C2CCOC2)c(CO)n1.CN(C)Cc1nc(N)ccc1C1CCOC1.CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCOC1.COC(=O)c1cccc(N)n1.COC(=O)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1Br.COC(=O)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1C1CCOC1.COC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1-c1ccoc1
• InChI: InChI=1S/C21H30N2O7.C17H23BrN2O6.C17H27N3O3.C16H18N2O5.C15H22N2O4.C12H19N3O.C9H13BO4.C7H7BrN2O2.C7H8N2O2/c1-20(2,3)29-18(25)23(19(26)30-21(4,5)6)15-9-8-14(13-10-11-28-12-13)16(22-15)17(24)27-7;1-16(2,3)25-14(22)20(15(23)26-17(4,5)6)11-9-8-10(18)12(19-11)13(21)24-7;1-17(2,3)23-16(21)19-15-7-6-13(12-8-9-22-11-12)14(18-15)10-20(4)5;1-16(2,3)23-15(20)18-12-6-5-11(10-7-8-22-9-10)13(17-12)14(19)21-4;1-15(2,3)21-14(19)17-13-5-4-11(12(8-18)16-13)10-6-7-20-9-10;1-15(2)7-11-10(3-4-12(13)14-11)9-5-6-16-8-9;1-9(2,3)14-8(11)10(12)7-4-5-13-6-7;1-12-7(11)6-4(8)2-3-5(9)10-6;1-11-7(10)5-3-2-4-6(8)9-5/h8-9,13H,10-12H2,1-7H3;8-9H,1-7H3;6-7,12H,8-11H2,1-5H3,(H,18,19,21);5-9H,1-4H3,(H,17,18,20);4-5,10,18H,6-9H2,1-3H3,(H,16,17,19);3-4,9H,5-8H2,1-2H3,(H2,13,14);4-6,12H,1-3H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9)
• InChIKey: HUGHLJJBFZQGKM-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 675.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2588.38
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

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 tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?

The IUPAC name of tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 158589382) is tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

What is the SMILES notation for tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?

The canonical SMILES for tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is CC(C)(C)OC(=O)B(O)c1ccoc1.CC(C)(C)OC(=O)Nc1ccc(C2CCOC2)c(CO)n1.CN(C)Cc1nc(N)ccc1C1CCOC1.CN(C)Cc1nc(NC(=O)OC(C)(C)C)ccc1C1CCOC1.COC(=O)c1cccc(N)n1.COC(=O)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1Br.COC(=O)c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1C1CCOC1.COC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)OC(C)(C)C)ccc1-c1ccoc1.

What is the InChIKey of tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?

The InChIKey is HUGHLJJBFZQGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O7.C17H23BrN2O6.C17H27N3O3.C16H18N2O5.C15H22N2O4.C12H19N3O.C9H13BO4.C7H7BrN2O2.C7H8N2O2/c1-20(2,3)29-18(25)23(19(26)30-21(4,5)6)15-9-8-14(13-10-11-28-12-13)16(22-15)17(24)27-7;1-16(2,3)25-14(22)20(15(23)26-17(4,5)6)11-9-8-10(18)12(19-11)13(21)24-7;1-17(2,3)23-16(21)19-15-7-6-13(12-8-9-22-11-12)14(18-15)10-20(4)5;1-16(2,3)23-15(20)18-12-6-5-11(10-7-8-22-9-10)13(17-12)14(19)21-4;1-15(2,3)21-14(19)17-13-5-4-11(12(8-18)16-13)10-6-7-20-9-10;1-15(2)7-11-10(3-4-12(13)14-11)9-5-6-16-8-9;1-9(2,3)14-8(11)10(12)7-4-5-13-6-7;1-12-7(11)6-4(8)2-3-5(9)10-6;1-11-7(10)5-3-2-4-6(8)9-5/h8-9,13H,10-12H2,1-7H3;8-9H,1-7H3;6-7,12H,8-11H2,1-5H3,(H,18,19,21);5-9H,1-4H3,(H,17,18,20);4-5,10,18H,6-9H2,1-3H3,(H,16,17,19);3-4,9H,5-8H2,1-2H3,(H2,13,14);4-6,12H,1-3H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9).

What are the key properties of tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?

tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 2588.38 g/mol, XLogP of 21.13, 22 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]carbamate;tert-butyl N-[6-(hydroxymethyl)-5-(oxolan-3-yl)-2-pyridinyl]carbamate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;furan-3-yl-[(2-methylpropan-2-yl)oxycarbonyl]borinic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-bromopyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate;methyl 3-(furan-3-yl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 158589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).