sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide

C85H98BBr2N10NaO12 — CID 160598365

About sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide

sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide (PubChem CID 160598365) has the molecular formula C85H98BBr2N10NaO12 and a molecular weight of 1645.39 g/mol. Its IUPAC name is sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide
• PubChem CID: 160598365
• Molecular Formula: C85H98BBr2N10NaO12
• Molecular Weight: 1645.39 g/mol
• Exact Mass: 1642.57
• IUPAC Name: sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide
• SMILES: Brc1ccc(CN2CCOCC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.[Na+].[OH-]
• InChI: InChI=1S/C25H29N3O3.C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.Na.H2O/c1-25(2,3)31-24(29)27-23-11-10-20(21-6-4-5-7-22(21)23)18-8-9-19(26-16-18)17-28-12-14-30-15-13-28;21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;;/h4-11,16H,12-15,17H2,1-3H3,(H,27,29);1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;;1H2/q;;;;;+1;/p-1
• InChIKey: RDYCHASUGONMKG-UHFFFAOYSA-M
• XLogP: 13.72
• TPSA: 287.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.39
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide?

The IUPAC name of sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide (CID 160598365) is sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide.

What is the SMILES notation for sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide?

The canonical SMILES for sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide is Brc1ccc(CN2CCOCC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(B(O)O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(Br)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.[Na+].[OH-].

What is the InChIKey of sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide?

The InChIKey is RDYCHASUGONMKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29N3O3.C20H21N3O.C15H18BNO4.C15H16BrNO2.C10H13BrN2O.Na.H2O/c1-25(2,3)31-24(29)27-23-11-10-20(21-6-4-5-7-22(21)23)18-8-9-19(26-16-18)17-28-12-14-30-15-13-28;21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13;1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13;11-9-1-2-10(12-7-9)8-13-3-5-14-6-4-13;;/h4-11,16H,12-15,17H2,1-3H3,(H,27,29);1-8,13H,9-12,14,21H2;4-9,19-20H,1-3H3,(H,17,18);4-9H,1-3H3,(H,17,18);1-2,7H,3-6,8H2;;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide?

sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide has a molecular weight of 1645.39 g/mol, XLogP of 13.72, 12 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[(5-bromo-2-pyridinyl)methyl]morpholine;tert-butyl N-(4-bromonaphthalen-1-yl)carbamate;tert-butyl N-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate;[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;hydroxide is sourced from PubChem (CID 160598365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).