trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium

C13H21N4O2+ — CID 91898320

IUPACtrimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium
SMILESC[N+](C)(C)CCCNC(=O)c1ccc(CN=O)nc1
InChIInChI=1S/C13H20N4O2/c1-17(2,3)8-4-7-14-13(18)11-5-6-12(10-16-19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3/p+1
InChIKeyBYRSYXOAIKWALX-UHFFFAOYSA-O
MW265.34 g/mol
LogP1.17
Rot. Bonds7

About trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium

trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium (PubChem CID 91898320) has the molecular formula C13H21N4O2+ and a molecular weight of 265.34 g/mol. Its IUPAC name is trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium
PubChem CID91898320
Molecular FormulaC13H21N4O2+
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Nametrimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium
SMILESC[N+](C)(C)CCCNC(=O)c1ccc(CN=O)nc1
InChIInChI=1S/C13H20N4O2/c1-17(2,3)8-4-7-14-13(18)11-5-6-12(10-16-19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3/p+1
InChIKeyBYRSYXOAIKWALX-UHFFFAOYSA-O
XLogP1.17
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium
CID 135416210
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
3-[(4-but-1-enoxybenzoyl)amino]propyl-trimethylazanium
CID 159909481
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 58769005
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
N-(4-methylpentyl)-6-propan-2-ylpyridine-3-carboxamide
CID 158554805
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium?
The IUPAC name of trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium (CID 91898320) is trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium is C[N+](C)(C)CCCNC(=O)c1ccc(CN=O)nc1.
What is the InChIKey of trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium?
The InChIKey is BYRSYXOAIKWALX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N4O2/c1-17(2,3)8-4-7-14-13(18)11-5-6-12(10-16-19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3/p+1.
What are the key properties of trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium?
trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium has a molecular weight of 265.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium is sourced from PubChem (CID 91898320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).