3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium

C14H24N4O2+2 — CID 135416210

IUPAC3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium
SMILESC[n+]1cc(C(=O)NCCC[N+](C)(C)C)ccc1C=NO
InChIInChI=1S/C14H22N4O2/c1-17-11-12(6-7-13(17)10-16-20)14(19)15-8-5-9-18(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3/p+2
InChIKeyAWUFUPQZTBKRDK-UHFFFAOYSA-P
MW280.37 g/mol
LogP0.15
Rot. Bonds6

About 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium

3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium (PubChem CID 135416210) has the molecular formula C14H24N4O2+2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium
PubChem CID135416210
Molecular FormulaC14H24N4O2+2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium
SMILESC[n+]1cc(C(=O)NCCC[N+](C)(C)C)ccc1C=NO
InChIInChI=1S/C14H22N4O2/c1-17-11-12(6-7-13(17)10-16-20)14(19)15-8-5-9-18(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3/p+2
InChIKeyAWUFUPQZTBKRDK-UHFFFAOYSA-P
XLogP0.15
TPSA65.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-carbonyl]amino]ethyl-trimethylazanium
CID 135648159
benzyl-[3-[[6-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-carbonyl]amino]propyl]-dimethylazanium
CID 135495469
6-[(Z)-hydroxyiminomethyl]-1-methyl-N-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridin-1-ium-3-carboxamide
CID 135779759
benzyl-[3-[[1-benzyl-6-[(Z)-hydroxyiminomethyl]pyridin-1-ium-3-carbonyl]amino]propyl]-dimethylazanium
CID 135581307
6-[(E)-hydroxyiminomethyl]-1-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide diiodide
CID 135959653
N-[2-[[6-[(Z)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-carbonyl]amino]ethyl]-1H-indole-2-carboxamide
CID 135840112
N-hexyl-2-(hydroxyiminomethyl)-1-methylpyridin-1-ium-4-carboxamide
CID 3793179
trimethyl-[3-[[6-(nitrosomethyl)pyridine-3-carbonyl]amino]propyl]azanium
CID 91898320
3-[(4-but-1-enoxybenzoyl)amino]propyl-trimethylazanium
CID 159909481
(4-ethylphenyl)methyl-dimethyl-[3-[[4-[5-(trimethylazaniumyl)pentanoyl]benzoyl]amino]propyl]azanium
CID 158146250
3-[(4-hydroxy-1H-indole-6-carbonyl)amino]propyl-trimethylazanium chloride
CID 18626944
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium?
The IUPAC name of 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium (CID 135416210) is 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium.
What is the SMILES notation for 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium?
The canonical SMILES for 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium is C[n+]1cc(C(=O)NCCC[N+](C)(C)C)ccc1C=NO.
What is the InChIKey of 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium?
The InChIKey is AWUFUPQZTBKRDK-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H22N4O2/c1-17-11-12(6-7-13(17)10-16-20)14(19)15-8-5-9-18(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3/p+2.
What are the key properties of 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium?
3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium has a molecular weight of 280.37 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(hydroxyiminomethyl)-1-methylpyridin-1-ium-3-carbonyl]amino]propyl-trimethylazanium is sourced from PubChem (CID 135416210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).