5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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

C86H98BBr2ClN18O10Si2 — CID 158004145

About 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 158004145) has the molecular formula C86H98BBr2ClN18O10Si2 and a molecular weight of 1806.09 g/mol. Its IUPAC name is 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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: 158004145
• Molecular Formula: C86H98BBr2ClN18O10Si2
• Molecular Weight: 1806.09 g/mol
• Exact Mass: 1802.54
• IUPAC Name: 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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: CN(C)C(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.CN(C)C(=O)c1ccc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CN(C)C(=O)c1ccc(Br)cn1.C[Si](C)(C)CCOCn1c2ccncc2c2ccc(Cl)nc21.O=C(O)c1ccc(Br)cn1
• InChI: InChI=1S/C24H29N5O2Si.C18H15N5O.C16H20ClN3OSi.C14H21BN2O3.C8H9BrN2O.C6H4BrNO2/c1-28(2)24(30)21-8-6-17(14-26-21)20-9-7-18-19-15-25-11-10-22(19)29(23(18)27-20)16-31-12-13-32(3,4)5;1-23(2)18(24)16-5-3-11(9-20-16)14-6-4-12-13-10-19-8-7-15(13)22-17(12)21-14;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;1-13(2)14(3,4)20-15(19-13)10-7-8-11(16-9-10)12(18)17(5)6;1-11(2)8(12)7-4-3-6(9)5-10-7;7-4-1-2-5(6(9)10)8-3-4/h6-11,14-15H,12-13,16H2,1-5H3;3-10H,1-2H3,(H,21,22);4-7,10H,8-9,11H2,1-3H3;7-9H,1-6H3;3-5H,1-2H3;1-3H,(H,9,10)
• InChIKey: FEBVJEHHVZPMMT-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 322.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.09
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 158004145) is 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 CN(C)C(=O)c1ccc(-c2ccc3c(n2)[nH]c2ccncc23)cn1.CN(C)C(=O)c1ccc(-c2ccc3c4cnccc4n(COCC[Si](C)(C)C)c3n2)cn1.CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.CN(C)C(=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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 FEBVJEHHVZPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2Si.C18H15N5O.C16H20ClN3OSi.C14H21BN2O3.C8H9BrN2O.C6H4BrNO2/c1-28(2)24(30)21-8-6-17(14-26-21)20-9-7-18-19-15-25-11-10-22(19)29(23(18)27-20)16-31-12-13-32(3,4)5;1-23(2)18(24)16-5-3-11(9-20-16)14-6-4-12-13-10-19-8-7-15(13)22-17(12)21-14;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;1-13(2)14(3,4)20-15(19-13)10-7-8-11(16-9-10)12(18)17(5)6;1-11(2)8(12)7-4-3-6(9)5-10-7;7-4-1-2-5(6(9)10)8-3-4/h6-11,14-15H,12-13,16H2,1-5H3;3-10H,1-2H3,(H,21,22);4-7,10H,8-9,11H2,1-3H3;7-9H,1-6H3;3-5H,1-2H3;1-3H,(H,9,10).

What are the key properties of 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 1806.09 g/mol, XLogP of 16.26, 18 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N,N-dimethylpyridine-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,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;N,N-dimethyl-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,N-dimethyl-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 158004145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).