(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium

C13H14N2O — CID 20725575

IUPAC(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium
SMILES[CH2-][NH2+]c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H14N2O/c1-14-12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-8,10H,1,9,14H2
InChIKeyVBXLOUWPZHPPHB-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.88
Rot. Bonds3

About (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium

(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium (PubChem CID 20725575) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium.

Molecular Properties

Compound Name(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium
PubChem CID20725575
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium
SMILES[CH2-][NH2+]c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H14N2O/c1-14-12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-8,10H,1,9,14H2
InChIKeyVBXLOUWPZHPPHB-UHFFFAOYSA-N
XLogP0.88
TPSA38.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-dibenzylpyridin-2-one
CID 24938871
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
1-benzyl-5-(2-phenylethynyl)pyridin-2-one
CID 69443442
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
5-benzyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 25250172

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium?
The IUPAC name of (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium (CID 20725575) is (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium.
What is the SMILES notation for (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium?
The canonical SMILES for (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium is [CH2-][NH2+]c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium?
The InChIKey is VBXLOUWPZHPPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-8,10H,1,9,14H2.
What are the key properties of (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium?
(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium has a molecular weight of 214.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium is sourced from PubChem (CID 20725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).