magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide

C60H94BrKMgN12O19 — CID 169424214

IUPACmagnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide
SMILESC.CC(=O)CC1(C[N+](=O)[O-])COC1.CCO.CCOC(=O)CC1(C[N+](=O)[O-])COC1.CN(C)C(=O)CC1(C[N+](=O)[O-])COC1.N.NCC1(Cc2ccc3c(n2)CCCC3)COC1.Nc1ncccc1C=O.O=[N+]([O-])CC1(Cc2ccc3cccnc3n2)COC1.[Br-].[CH3-].[H-].[K+].[Mg+2]
InChIInChI=1S/C14H20N2O.C13H13N3O3.C8H14N2O4.C8H13NO5.C7H11NO4.C6H6N2O.C2H6O.CH4.CH3.BrH.K.Mg.H3N.H/c15-8-14(9-17-10-14)7-12-6-5-11-3-1-2-4-13(11)16-12;17-16(18)7-13(8-19-9-13)6-11-4-3-10-2-1-5-14-12(10)15-11;1-9(2)7(11)3-8(4-10(12)13)5-14-6-8;1-2-14-7(10)3-8(4-9(11)12)5-13-6-8;1-6(9)2-7(3-8(10)11)4-12-5-7;7-6-5(4-9)2-1-3-8-6;1-2-3;;;;;;;/h5-6H,1-4,7-10,15H2;1-5H,6-9H2;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;1-4H,(H2,7,8);3H,2H2,1H3;1H4;1H3;1H;;;1H3;/q;;;;;;;;-1;;+1;+2;;-1/p-1
InChIKeyUOMRNZFMRPIVPK-UHFFFAOYSA-M
MW1430.78 g/mol
LogP-1.34
Rot. Bonds21

About magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide

magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide (PubChem CID 169424214) has the molecular formula C60H94BrKMgN12O19 and a molecular weight of 1430.78 g/mol. Its IUPAC name is magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide.

Molecular Properties

Compound Namemagnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide
PubChem CID169424214
Molecular FormulaC60H94BrKMgN12O19
Molecular Weight1430.78 g/mol
Exact Mass1428.54
IUPAC Namemagnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide
SMILESC.CC(=O)CC1(C[N+](=O)[O-])COC1.CCO.CCOC(=O)CC1(C[N+](=O)[O-])COC1.CN(C)C(=O)CC1(C[N+](=O)[O-])COC1.N.NCC1(Cc2ccc3c(n2)CCCC3)COC1.Nc1ncccc1C=O.O=[N+]([O-])CC1(Cc2ccc3cccnc3n2)COC1.[Br-].[CH3-].[H-].[K+].[Mg+2]
InChIInChI=1S/C14H20N2O.C13H13N3O3.C8H14N2O4.C8H13NO5.C7H11NO4.C6H6N2O.C2H6O.CH4.CH3.BrH.K.Mg.H3N.H/c15-8-14(9-17-10-14)7-12-6-5-11-3-1-2-4-13(11)16-12;17-16(18)7-13(8-19-9-13)6-11-4-3-10-2-1-5-14-12(10)15-11;1-9(2)7(11)3-8(4-10(12)13)5-14-6-8;1-2-14-7(10)3-8(4-9(11)12)5-13-6-8;1-6(9)2-7(3-8(10)11)4-12-5-7;7-6-5(4-9)2-1-3-8-6;1-2-3;;;;;;;/h5-6H,1-4,7-10,15H2;1-5H,6-9H2;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;1-4H,(H2,7,8);3H,2H2,1H3;1H4;1H3;1H;;;1H3;/q;;;;;;;;-1;;+1;+2;;-1/p-1
InChIKeyUOMRNZFMRPIVPK-UHFFFAOYSA-M
XLogP-1.34
TPSA458.29 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001430.78
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide?
The IUPAC name of magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide (CID 169424214) is magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide.
What is the SMILES notation for magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide?
The canonical SMILES for magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide is C.CC(=O)CC1(C[N+](=O)[O-])COC1.CCO.CCOC(=O)CC1(C[N+](=O)[O-])COC1.CN(C)C(=O)CC1(C[N+](=O)[O-])COC1.N.NCC1(Cc2ccc3c(n2)CCCC3)COC1.Nc1ncccc1C=O.O=[N+]([O-])CC1(Cc2ccc3cccnc3n2)COC1.[Br-].[CH3-].[H-].[K+].[Mg+2].
What is the InChIKey of magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide?
The InChIKey is UOMRNZFMRPIVPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20N2O.C13H13N3O3.C8H14N2O4.C8H13NO5.C7H11NO4.C6H6N2O.C2H6O.CH4.CH3.BrH.K.Mg.H3N.H/c15-8-14(9-17-10-14)7-12-6-5-11-3-1-2-4-13(11)16-12;17-16(18)7-13(8-19-9-13)6-11-4-3-10-2-1-5-14-12(10)15-11;1-9(2)7(11)3-8(4-10(12)13)5-14-6-8;1-2-14-7(10)3-8(4-9(11)12)5-13-6-8;1-6(9)2-7(3-8(10)11)4-12-5-7;7-6-5(4-9)2-1-3-8-6;1-2-3;;;;;;;/h5-6H,1-4,7-10,15H2;1-5H,6-9H2;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;1-4H,(H2,7,8);3H,2H2,1H3;1H4;1H3;1H;;;1H3;/q;;;;;;;;-1;;+1;+2;;-1/p-1.
What are the key properties of magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide?
magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide has a molecular weight of 1430.78 g/mol, XLogP of -1.34, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;potassium;2-aminopyridine-3-carbaldehyde;azane;carbanide;N,N-dimethyl-2-[3-(nitromethyl)oxetan-3-yl]acetamide;ethanol;ethyl 2-[3-(nitromethyl)oxetan-3-yl]acetate;hydride;methane;2-[[3-(nitromethyl)oxetan-3-yl]methyl]-1,8-naphthyridine;1-[3-(nitromethyl)oxetan-3-yl]propan-2-one;[3-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)oxetan-3-yl]methanamine;bromide is sourced from PubChem (CID 169424214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).