2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

C13H13N4O+ — CID 6132610

IUPAC2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(C[n+]1ccccc1)N/N=C\c1ccncc1
InChIInChI=1S/C13H12N4O/c18-13(11-17-8-2-1-3-9-17)16-15-10-12-4-6-14-7-5-12/h1-10H,11H2/p+1
InChIKeyMYFWCVQTTKUEJB-UHFFFAOYSA-O
MW241.27 g/mol
LogP0.52
Rot. Bonds4

About 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 6132610) has the molecular formula C13H13N4O+ and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID6132610
Molecular FormulaC13H13N4O+
Molecular Weight241.27 g/mol
Exact Mass241.11
IUPAC Name2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESO=C(C[n+]1ccccc1)N/N=C\c1ccncc1
InChIInChI=1S/C13H12N4O/c18-13(11-17-8-2-1-3-9-17)16-15-10-12-4-6-14-7-5-12/h1-10H,11H2/p+1
InChIKeyMYFWCVQTTKUEJB-UHFFFAOYSA-O
XLogP0.52
TPSA58.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide 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

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 132933007
N-[(4-tert-butylphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 2321367
2-pyridin-1-ium-1-yl-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
CID 15703176
N-[(3-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506404
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 146022648
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136886967

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (CID 6132610) is 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is O=C(C[n+]1ccccc1)N/N=C\c1ccncc1.
What is the InChIKey of 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is MYFWCVQTTKUEJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N4O/c18-13(11-17-8-2-1-3-9-17)16-15-10-12-4-6-14-7-5-12/h1-10H,11H2/p+1.
What are the key properties of 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 241.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 6132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).