magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide — IUPAC name, SMILES, InChIKey & properties

Name: magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide

magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide (PubChem CID 159447212) has the molecular formula C59H68BBr4MgN9O11 and a molecular weight of 1433.98 g/mol. Its IUPAC name is magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide.

Molecular Properties

Compound Name	magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide
PubChem CID	159447212
Molecular Formula	C59H68BBr4MgN9O11
Molecular Weight	1433.98 g/mol
Exact Mass	1429.17
IUPAC Name	magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide
SMILES	C1CCOC1.CC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CON(C)C(=O)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1.O=C(c1cncc(Br)c1)C1CC1.[Br-].[CH-]1CC1.[Mg+2]
InChI	InChI=1S/C16H15N3O2.C13H19BN2O3.C9H8BrNO.C8H9BrN2O2.C6H4BrNO2.C4H8O.C3H5.BrH.Mg/c1-10(20)19-15-7-12(4-5-18-15)13-6-14(9-17-8-13)16(21)11-2-3-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-8-3-7(4-11-5-8)9(12)6-1-2-6;1-11(13-2)8(12)6-3-7(9)5-10-4-6;7-5-1-4(6(9)10)2-8-3-5;1-2-4-5-3-1;1-2-3-1;;/h4-9,11H,2-3H2,1H3,(H,18,19,20);6-8H,1-5H3,(H,15,16,17);3-6H,1-2H2;3-5H,1-2H3;1-3H,(H,9,10);1-4H2;1H,2-3H2;1H;/q;;;;;;-1;;+2/p-1
InChIKey	CYNAYXRSFSXEGP-UHFFFAOYSA-M
XLogP	7.89
TPSA	264.21 Å²
H-Bond Donors	3
H-Bond Acceptors	16
Rotatable Bonds	11
Heavy Atoms	85
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.98
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide?

The IUPAC name of magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide (CID 159447212) is magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide.

What is the SMILES notation for magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide?

The canonical SMILES for magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide is C1CCOC1.CC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1.CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CON(C)C(=O)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1.O=C(c1cncc(Br)c1)C1CC1.[Br-].[CH-]1CC1.[Mg+2].

What is the InChIKey of magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide?

The InChIKey is CYNAYXRSFSXEGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15N3O2.C13H19BN2O3.C9H8BrNO.C8H9BrN2O2.C6H4BrNO2.C4H8O.C3H5.BrH.Mg/c1-10(20)19-15-7-12(4-5-18-15)13-6-14(9-17-8-13)16(21)11-2-3-11;1-9(17)16-11-8-10(6-7-15-11)14-18-12(2,3)13(4,5)19-14;10-8-3-7(4-11-5-8)9(12)6-1-2-6;1-11(13-2)8(12)6-3-7(9)5-10-4-6;7-5-1-4(6(9)10)2-8-3-5;1-2-4-5-3-1;1-2-3-1;;/h4-9,11H,2-3H2,1H3,(H,18,19,20);6-8H,1-5H3,(H,15,16,17);3-6H,1-2H2;3-5H,1-2H3;1-3H,(H,9,10);1-4H2;1H,2-3H2;1H;/q;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide?

Where does this data come from?

All data for magnesium;5-bromo-N-methoxy-N-methylpyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;(5-bromo-3-pyridinyl)-cyclopropylmethanone;cyclopropane;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;oxolane;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide;bromide is sourced from PubChem (CID 159447212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).