[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium

C24H46N4O2+2 — CID 165360156

IUPAC[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
SMILESCN(C)C(=O)Oc1cccnc1C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C24H46N4O2/c1-26(2)24(29)30-23-17-16-18-25-22(23)21-28(6,7)20-15-13-11-9-8-10-12-14-19-27(3,4)5/h16-18H,8-15,19-21H2,1-7H3/q+2
InChIKeyNHZIDWPQUOZVNG-UHFFFAOYSA-N
MW422.66 g/mol
LogP4.55
Rot. Bonds14

About [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium

[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium (PubChem CID 165360156) has the molecular formula C24H46N4O2+2 and a molecular weight of 422.66 g/mol. Its IUPAC name is [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium.

Molecular Properties

Compound Name[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
PubChem CID165360156
Molecular FormulaC24H46N4O2+2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Name[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium
SMILESCN(C)C(=O)Oc1cccnc1C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C24H46N4O2/c1-26(2)24(29)30-23-17-16-18-25-22(23)21-28(6,7)20-15-13-11-9-8-10-12-14-19-27(3,4)5/h16-18H,8-15,19-21H2,1-7H3/q+2
InChIKeyNHZIDWPQUOZVNG-UHFFFAOYSA-N
XLogP4.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[8-(trimethylazaniumyl)octyl]azanium;bis(2-hydroxy-2-oxoacetate)
CID 88779584
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-(2-propylpentanoyloxymethyl)azanium chloride
CID 17065341
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
dodecyl-[(3-ethoxy-2-pyridinyl)methyl]-dimethylazanium
CID 166637511
[2-[[9-[[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methylamino]nonyl-methylamino]methyl]-3-pyridinyl] N,N-dimethylcarbamate;perchloric acid
CID 88659974
[2-[[methyl(nonan-2-yl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 70432937
[2-[[cyclohexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074957
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
[1-[10-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]decyl]isoquinolin-5-yl] N,N-dimethylcarbamate;sulfuric acid
CID 173406299
[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
[2-[[butyl(methyl)amino]methylideneamino]-3-pyridinyl] N,N-dimethylcarbamate
CID 67568014
[2-(dimethylcarbamoyloxy)-3-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium
CID 135121841

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The IUPAC name of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium (CID 165360156) is [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium.
What is the SMILES notation for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The canonical SMILES for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium is CN(C)C(=O)Oc1cccnc1C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium?
The InChIKey is NHZIDWPQUOZVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-26(2)24(29)30-23-17-16-18-25-22(23)21-28(6,7)20-15-13-11-9-8-10-12-14-19-27(3,4)5/h16-18H,8-15,19-21H2,1-7H3/q+2.
What are the key properties of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium?
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium has a molecular weight of 422.66 g/mol, XLogP of 4.55, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-dimethyl-[10-(trimethylazaniumyl)decyl]azanium is sourced from PubChem (CID 165360156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).