2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C51H67BBr2N12O8 — CID 161115565

About 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 161115565) has the molecular formula C51H67BBr2N12O8 and a molecular weight of 1146.79 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 161115565
• Molecular Formula: C51H67BBr2N12O8
• Molecular Weight: 1146.79 g/mol
• Exact Mass: 1144.37
• IUPAC Name: 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CN(C)C(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CN(C)C(=O)Cc1cncc(Br)c1.CNC.O=C(O)Cc1cncc(Br)c1
• InChI: InChI=1S/C18H21N5O2.C15H22BN3O3.C9H11BrN2O.C7H6BrNO2.C2H7N/c1-22(2)16(24)7-12-6-14(10-20-9-12)15-8-13-4-3-5-23(18(19)25)17(13)21-11-15;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-12(2)9(13)4-7-3-8(10)6-11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-3-2/h6,8-11H,3-5,7H2,1-2H3,(H2,19,25);8-9H,5-7H2,1-4H3,(H2,17,20);3,5-6H,4H2,1-2H3;1,3-4H,2H2,(H,10,11);3H,1-2H3
• InChIKey: UKGRRCHARMUFLA-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 265.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1146.79
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 161115565) is 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CN(C)C(=O)Cc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CN(C)C(=O)Cc1cncc(Br)c1.CNC.O=C(O)Cc1cncc(Br)c1.

What is the InChIKey of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is UKGRRCHARMUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.C15H22BN3O3.C9H11BrN2O.C7H6BrNO2.C2H7N/c1-22(2)16(24)7-12-6-14(10-20-9-12)15-8-13-4-3-5-23(18(19)25)17(13)21-11-15;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-12(2)9(13)4-7-3-8(10)6-11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-3-2/h6,8-11H,3-5,7H2,1-2H3,(H2,19,25);8-9H,5-7H2,1-4H3,(H2,17,20);3,5-6H,4H2,1-2H3;1,3-4H,2H2,(H,10,11);3H,1-2H3.

What are the key properties of 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1146.79 g/mol, XLogP of 5.60, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-3-pyridinyl)acetic acid;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;6-[5-[2-(dimethylamino)-2-oxoethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-methylmethanamine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 161115565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).