5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

C90H106BBr2ClN18O14Si2 — CID 161026905

About 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide

5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (PubChem CID 161026905) has the molecular formula C90H106BBr2ClN18O14Si2 and a molecular weight of 1926.19 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• PubChem CID: 161026905
• Molecular Formula: C90H106BBr2ClN18O14Si2
• Molecular Weight: 1926.19 g/mol
• Exact Mass: 1922.58
• IUPAC Name: 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide
• SMILES: COCCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.COCCNC(=O)c1ccc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.COCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.COCCNC(=O)c1ccc(Br)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C25H31N5O3Si.C19H17N5O2.C16H20ClN3OSi.C15H23BN2O4.C9H11BrN2O2.C6H4BrNO2/c1-32-12-11-27-25(31)22-7-5-18(15-28-22)21-8-6-19-20-16-26-10-9-23(20)30(24(19)29-21)17-33-13-14-34(2,3)4;1-26-9-8-21-19(25)17-4-2-12(10-22-17)15-5-3-13-14-11-20-7-6-16(14)24-18(13)23-15;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-14(2)15(3,4)22-16(21-14)11-6-7-12(18-10-11)13(19)17-8-9-20-5;1-14-5-4-11-9(13)8-3-2-7(10)6-12-8;7-4-1-2-5(6(9)10)8-3-4/h5-10,15-16H,11-14,17H2,1-4H3,(H,27,31);2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24);4-7,10H,8-9,11H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,17,19);2-3,6H,4-5H2,1H3,(H,11,13);1-3H,(H,9,10)
• InChIKey: TZCHJFZYGONGIM-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 394.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.19
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The IUPAC name of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide (CID 161026905) is 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is COCCNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.COCCNC(=O)c1ccc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.COCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.COCCNC(=O)c1ccc(Br)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=C(O)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

The InChIKey is TZCHJFZYGONGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3Si.C19H17N5O2.C16H20ClN3OSi.C15H23BN2O4.C9H11BrN2O2.C6H4BrNO2/c1-32-12-11-27-25(31)22-7-5-18(15-28-22)21-8-6-19-20-16-26-10-9-23(20)30(24(19)29-21)17-33-13-14-34(2,3)4;1-26-9-8-21-19(25)17-4-2-12(10-22-17)15-5-3-13-14-11-20-7-6-16(14)24-18(13)23-15;1-22(2,3)9-8-21-11-20-14-6-7-18-10-13(14)12-4-5-15(17)19-16(12)20;1-14(2)15(3,4)22-16(21-14)11-6-7-12(18-10-11)13(19)17-8-9-20-5;1-14-5-4-11-9(13)8-3-2-7(10)6-12-8;7-4-1-2-5(6(9)10)8-3-4/h5-10,15-16H,11-14,17H2,1-4H3,(H,27,31);2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24);4-7,10H,8-9,11H2,1-3H3;6-7,10H,8-9H2,1-5H3,(H,17,19);2-3,6H,4-5H2,1H3,(H,11,13);1-3H,(H,9,10).

What are the key properties of 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide?

5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide has a molecular weight of 1926.19 g/mol, XLogP of 14.95, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide;5-bromopyridine-2-carboxylic acid;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridine-2-carboxamide;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 161026905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).