1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide

C17H11N3O2 — CID 135438579

IUPAC1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide
SMILESN#C/C(=N\Cc1ccccn1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H11N3O2/c18-9-14(20-10-11-5-3-4-8-19-11)15-16(21)12-6-1-2-7-13(12)17(15)22/h1-8,21H,10H2/b20-14+
InChIKeyGASXBEJXWLBKJD-XSFVSMFZSA-N
MW289.29 g/mol
LogP2.71
Rot. Bonds3

About 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide

1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide (PubChem CID 135438579) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide
PubChem CID135438579
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide
SMILESN#C/C(=N\Cc1ccccn1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H11N3O2/c18-9-14(20-10-11-5-3-4-8-19-11)15-16(21)12-6-1-2-7-13(12)17(15)22/h1-8,21H,10H2/b20-14+
InChIKeyGASXBEJXWLBKJD-XSFVSMFZSA-N
XLogP2.71
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide with MolForge

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

Launch Full Analysis

Related Compounds

1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide
CID 135458626
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 140989208
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
CID 90668643
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-3-hydroxyinden-1-one
CID 137036855
2-methyl-3-(pyridin-2-ylmethylimino)butane-2-thiol
CID 101136521
potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile
CID 172921830
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
phenyl(pyridin-2-ylmethyl)diazene
CID 54008576

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide (CID 135438579) is 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide is N#C/C(=N\Cc1ccccn1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide?
The InChIKey is GASXBEJXWLBKJD-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-9-14(20-10-11-5-3-4-8-19-11)15-16(21)12-6-1-2-7-13(12)17(15)22/h1-8,21H,10H2/b20-14+.
What are the key properties of 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide?
1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide has a molecular weight of 289.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide is sourced from PubChem (CID 135438579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).