methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium

C10H15N2O2+ — CID 25201146

IUPACmethyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium
SMILESC[NH2+]CCCC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)/p+1
InChIKeyUMLOUOBDBGOHHR-UHFFFAOYSA-O
MW195.24 g/mol
LogP-0.47
Rot. Bonds5

About methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium

methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium (PubChem CID 25201146) has the molecular formula C10H15N2O2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium.

Molecular Properties

Compound Namemethyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium
PubChem CID25201146
Molecular FormulaC10H15N2O2+
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namemethyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium
SMILESC[NH2+]CCCC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)/p+1
InChIKeyUMLOUOBDBGOHHR-UHFFFAOYSA-O
XLogP-0.47
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium?
The IUPAC name of methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium (CID 25201146) is methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium.
What is the SMILES notation for methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium?
The canonical SMILES for methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium is C[NH2+]CCCC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium?
The InChIKey is UMLOUOBDBGOHHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)/p+1.
What are the key properties of methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium?
methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium has a molecular weight of 195.24 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-oxo-4-(6-oxo-1H-pyridin-3-yl)butyl]azanium is sourced from PubChem (CID 25201146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).