N-(4H-pyridin-3-ylidene)methanimidamide

C6H7N3 — CID 66613397

IUPACN-(4H-pyridin-3-ylidene)methanimidamide
SMILES[H]/N=C/N=C1/C=NC=CC1
InChIInChI=1S/C6H7N3/c7-5-9-6-2-1-3-8-4-6/h1,3-5,7H,2H2/b7-5+,9-6+
InChIKeyAUVGOHPQYSKKCQ-PDTNFJSOSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds1

About N-(4H-pyridin-3-ylidene)methanimidamide

N-(4H-pyridin-3-ylidene)methanimidamide (PubChem CID 66613397) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-(4H-pyridin-3-ylidene)methanimidamide.

Molecular Properties

Compound NameN-(4H-pyridin-3-ylidene)methanimidamide
PubChem CID66613397
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-(4H-pyridin-3-ylidene)methanimidamide
SMILES[H]/N=C/N=C1/C=NC=CC1
InChIInChI=1S/C6H7N3/c7-5-9-6-2-1-3-8-4-6/h1,3-5,7H,2H2/b7-5+,9-6+
InChIKeyAUVGOHPQYSKKCQ-PDTNFJSOSA-N
XLogP1.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4H-pyridin-3-ylidene)methanimidamide 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 N-(4H-pyridin-3-ylidene)methanimidamide?
The IUPAC name of N-(4H-pyridin-3-ylidene)methanimidamide (CID 66613397) is N-(4H-pyridin-3-ylidene)methanimidamide.
What is the SMILES notation for N-(4H-pyridin-3-ylidene)methanimidamide?
The canonical SMILES for N-(4H-pyridin-3-ylidene)methanimidamide is [H]/N=C/N=C1/C=NC=CC1.
What is the InChIKey of N-(4H-pyridin-3-ylidene)methanimidamide?
The InChIKey is AUVGOHPQYSKKCQ-PDTNFJSOSA-N. The full InChI is InChI=1S/C6H7N3/c7-5-9-6-2-1-3-8-4-6/h1,3-5,7H,2H2/b7-5+,9-6+.
What are the key properties of N-(4H-pyridin-3-ylidene)methanimidamide?
N-(4H-pyridin-3-ylidene)methanimidamide has a molecular weight of 121.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-pyridin-3-ylidene)methanimidamide is sourced from PubChem (CID 66613397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).