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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate

C121H167BBr2N18O35 — CID 160798926

IUPACtert-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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate
SMILESCC(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)ccc1-c1ccoc1.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.OB(O)c1ccoc1
InChIInChI=1S/C21H30N2O7.C21H26N2O7.C17H23BrN2O6.C17H27N3O3.C15H22N2O4.C12H19N3O.C7H7BrN2O2.C7H8N2O2.C4H5BO3/c2*1-20(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;1-15(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;1-12-7(11)6-4(8)2-3-5(9)10-6;1-11-7(10)5-3-2-4-6(8)9-5;6-5(7)4-1-2-8-3-4/h8-9,13H,10-12H2,1-7H3;8-12H,1-7H3;8-9H,1-7H3;6-7,12H,8-11H2,1-5H3,(H,18,19,21);4-5,10,18H,6-9H2,1-3H3,(H,16,17,19);3-4,9H,5-8H2,1-2H3,(H2,13,14);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3,6-7H
InChIKeySCUOCDKWHVTXRR-UHFFFAOYSA-N
MW2604.38 g/mol
LogP20.43
Rot. Bonds21

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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate (PubChem CID 160798926) has the molecular formula C121H167BBr2N18O35 and a molecular weight of 2604.38 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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate
PubChem CID160798926
Molecular FormulaC121H167BBr2N18O35
Molecular Weight2604.38 g/mol
Exact Mass2601.03
IUPAC Nametert-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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate
SMILESCC(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)ccc1-c1ccoc1.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.OB(O)c1ccoc1
InChIInChI=1S/C21H30N2O7.C21H26N2O7.C17H23BrN2O6.C17H27N3O3.C15H22N2O4.C12H19N3O.C7H7BrN2O2.C7H8N2O2.C4H5BO3/c2*1-20(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;1-15(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;1-12-7(11)6-4(8)2-3-5(9)10-6;1-11-7(10)5-3-2-4-6(8)9-5;6-5(7)4-1-2-8-3-4/h8-9,13H,10-12H2,1-7H3;8-12H,1-7H3;8-9H,1-7H3;6-7,12H,8-11H2,1-5H3,(H,18,19,21);4-5,10,18H,6-9H2,1-3H3,(H,16,17,19);3-4,9H,5-8H2,1-2H3,(H2,13,14);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3,6-7H
InChIKeySCUOCDKWHVTXRR-UHFFFAOYSA-N
XLogP20.43
TPSA687.23 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002604.38
LogP ≤ 520.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate with MolForge

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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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate (CID 160798926) 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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate is 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)ccc1-c1ccoc1.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.OB(O)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate?
The InChIKey is SCUOCDKWHVTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O7.C21H26N2O7.C17H23BrN2O6.C17H27N3O3.C15H22N2O4.C12H19N3O.C7H7BrN2O2.C7H8N2O2.C4H5BO3/c2*1-20(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;1-15(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;1-12-7(11)6-4(8)2-3-5(9)10-6;1-11-7(10)5-3-2-4-6(8)9-5;6-5(7)4-1-2-8-3-4/h8-9,13H,10-12H2,1-7H3;8-12H,1-7H3;8-9H,1-7H3;6-7,12H,8-11H2,1-5H3,(H,18,19,21);4-5,10,18H,6-9H2,1-3H3,(H,16,17,19);3-4,9H,5-8H2,1-2H3,(H2,13,14);2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3,6-7H.
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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate has a molecular weight of 2604.38 g/mol, XLogP of 20.43, 21 rotatable bonds, 8 hydrogen bond donors, and 48 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-ylboronic 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-(furan-3-yl)pyridine-2-carboxylate;methyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(oxolan-3-yl)pyridine-2-carboxylate is sourced from PubChem (CID 160798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).