3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C71H93BBr2N16O6 — CID 158152171

About 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 158152171) has the molecular formula C71H93BBr2N16O6 and a molecular weight of 1437.25 g/mol. Its IUPAC name is 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• PubChem CID: 158152171
• Molecular Formula: C71H93BBr2N16O6
• Molecular Weight: 1437.25 g/mol
• Exact Mass: 1434.59
• IUPAC Name: 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• SMILES: CN(C)CCNC(=O)c1cccc(-c2ccc(N)nc2)c1.CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(Br)c2)c1.CN(C)CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cc(-c2cccc(C(=O)NCCN(C)C)c2)cnc1N.Nc1ccc(Br)cn1
• InChI: InChI=1S/C17H27BN2O3.C17H22N4O.C16H19BrN4O.C16H20N4O.C5H5BrN2/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6;1-12-9-15(11-20-16(12)18)13-5-4-6-14(10-13)17(22)19-7-8-21(2)3;1-21(2)7-6-19-16(22)12-5-3-4-11(8-12)13-9-14(17)15(18)20-10-13;1-20(2)9-8-18-16(21)13-5-3-4-12(10-13)14-6-7-15(17)19-11-14;6-4-1-2-5(7)8-3-4/h7-9,12H,10-11H2,1-6H3,(H,19,21);4-6,9-11H,7-8H2,1-3H3,(H2,18,20)(H,19,22);3-5,8-10H,6-7H2,1-2H3,(H2,18,20)(H,19,22);3-7,10-11H,8-9H2,1-2H3,(H2,17,19)(H,18,21);1-3H,(H2,7,8)
• InChIKey: FVFZFEVRXMHHHQ-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 303.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.25
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The IUPAC name of 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 158152171) is 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the SMILES notation for 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The canonical SMILES for 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CN(C)CCNC(=O)c1cccc(-c2ccc(N)nc2)c1.CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(Br)c2)c1.CN(C)CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1.Cc1cc(-c2cccc(C(=O)NCCN(C)C)c2)cnc1N.Nc1ccc(Br)cn1.

What is the InChIKey of 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

The InChIKey is FVFZFEVRXMHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BN2O3.C17H22N4O.C16H19BrN4O.C16H20N4O.C5H5BrN2/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6;1-12-9-15(11-20-16(12)18)13-5-4-6-14(10-13)17(22)19-7-8-21(2)3;1-21(2)7-6-19-16(22)12-5-3-4-11(8-12)13-9-14(17)15(18)20-10-13;1-20(2)9-8-18-16(21)13-5-3-4-12(10-13)14-6-7-15(17)19-11-14;6-4-1-2-5(7)8-3-4/h7-9,12H,10-11H2,1-6H3,(H,19,21);4-6,9-11H,7-8H2,1-3H3,(H2,18,20)(H,19,22);3-5,8-10H,6-7H2,1-2H3,(H2,18,20)(H,19,22);3-7,10-11H,8-9H2,1-2H3,(H2,17,19)(H,18,21);1-3H,(H2,7,8).

What are the key properties of 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?

3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 1437.25 g/mol, XLogP of 8.64, 20 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-5-bromo-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-5-methyl-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;3-(6-amino-3-pyridinyl)-N-[2-(dimethylamino)ethyl]benzamide;5-bromopyridin-2-amine;N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 158152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).