magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride

C69H102BrClMgN10O15 — CID 157205621

About magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride

magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride (PubChem CID 157205621) has the molecular formula C69H102BrClMgN10O15 and a molecular weight of 1451.29 g/mol. Its IUPAC name is magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride
• PubChem CID: 157205621
• Molecular Formula: C69H102BrClMgN10O15
• Molecular Weight: 1451.29 g/mol
• Exact Mass: 1448.62
• IUPAC Name: magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride
• SMILES: CC(=O)C1(CC(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)CC1(C(=O)O)CC1.CC(C)(C)OC(=O)NC1(c2ccc3cccnc3n2)CC1.CNOC.CON(C)C(=O)C1(CC(=O)OC(C)(C)C)CC1.Cl.NC1(c2ccc3cccnc3n2)CC1.Nc1ncccc1C=O.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C16H19N3O2.C12H21NO4.C11H11N3.C11H18O3.C10H16O4.C6H6N2O.C2H7NO.CH3.BrH.ClH.Mg/c1-15(2,3)21-14(20)19-16(8-9-16)12-7-6-11-5-4-10-17-13(11)18-12;1-11(2,3)17-9(14)8-12(6-7-12)10(15)13(4)16-5;12-11(5-6-11)9-4-3-8-2-1-7-13-10(8)14-9;1-8(12)11(5-6-11)7-9(13)14-10(2,3)4;1-9(2,3)14-7(11)6-10(4-5-10)8(12)13;7-6-5(4-9)2-1-3-8-6;1-3-4-2;;;;/h4-7,10H,8-9H2,1-3H3,(H,19,20);6-8H2,1-5H3;1-4,7H,5-6,12H2;5-7H2,1-4H3;4-6H2,1-3H3,(H,12,13);1-4H,(H2,7,8);3H,1-2H3;1H3;2*1H;/q;;;;;;;-1;;;+2/p-1
• InChIKey: SXZRWZBVGMAXCV-UHFFFAOYSA-M
• XLogP: 7.65
• TPSA: 355.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.29
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride?

The IUPAC name of magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride (CID 157205621) is magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride.

What is the SMILES notation for magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride?

The canonical SMILES for magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride is CC(=O)C1(CC(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)CC1(C(=O)O)CC1.CC(C)(C)OC(=O)NC1(c2ccc3cccnc3n2)CC1.CNOC.CON(C)C(=O)C1(CC(=O)OC(C)(C)C)CC1.Cl.NC1(c2ccc3cccnc3n2)CC1.Nc1ncccc1C=O.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride?

The InChIKey is SXZRWZBVGMAXCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19N3O2.C12H21NO4.C11H11N3.C11H18O3.C10H16O4.C6H6N2O.C2H7NO.CH3.BrH.ClH.Mg/c1-15(2,3)21-14(20)19-16(8-9-16)12-7-6-11-5-4-10-17-13(11)18-12;1-11(2,3)17-9(14)8-12(6-7-12)10(15)13(4)16-5;12-11(5-6-11)9-4-3-8-2-1-7-13-10(8)14-9;1-8(12)11(5-6-11)7-9(13)14-10(2,3)4;1-9(2,3)14-7(11)6-10(4-5-10)8(12)13;7-6-5(4-9)2-1-3-8-6;1-3-4-2;;;;/h4-7,10H,8-9H2,1-3H3,(H,19,20);6-8H2,1-5H3;1-4,7H,5-6,12H2;5-7H2,1-4H3;4-6H2,1-3H3,(H,12,13);1-4H,(H2,7,8);3H,1-2H3;1H3;2*1H;/q;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride?

magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride has a molecular weight of 1451.29 g/mol, XLogP of 7.65, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-aminopyridine-3-carbaldehyde;tert-butyl 2-(1-acetylcyclopropyl)acetate;tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate;tert-butyl N-[1-(1,8-naphthyridin-2-yl)cyclopropyl]carbamate;carbanide;N-methoxymethanamine;1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid;1-(1,8-naphthyridin-2-yl)cyclopropan-1-amine;bromide;hydrochloride is sourced from PubChem (CID 157205621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).