N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide

C12H12N6 — CID 172958470

IUPACN'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
SMILESNC(=N/N=C(\N)c1ccncc1)c1ccncc1
InChIInChI=1S/C12H12N6/c13-11(9-1-5-15-6-2-9)17-18-12(14)10-3-7-16-8-4-10/h1-8H,(H2,13,17)(H2,14,18)
InChIKeyZYTDSZDSBJVCQY-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.50
Rot. Bonds3

About N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide

N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide (PubChem CID 172958470) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
PubChem CID172958470
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC NameN'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
SMILESNC(=N/N=C(\N)c1ccncc1)c1ccncc1
InChIInChI=1S/C12H12N6/c13-11(9-1-5-15-6-2-9)17-18-12(14)10-3-7-16-8-4-10/h1-8H,(H2,13,17)(H2,14,18)
InChIKeyZYTDSZDSBJVCQY-UHFFFAOYSA-N
XLogP0.50
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
CID 89216738
N'-tert-butylpyridine-4-carboximidamide
CID 63181474
N-(dipyridin-4-ylmethylideneamino)-1,1-dipyridin-4-ylmethanimine
CID 15883973
hydrogen selenite;N'-hydroxypyridine-4-carboximidamide
CID 135465891
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
N-(diaminomethylidene)pyridine-4-carboxamide
CID 14045774
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
propan-2-one;pyridine-4-carboxamide
CID 174689468
N'-[(2-chloroaziridin-1-ium-1-ylidene)-pyridin-4-ylmethyl]pyridine-4-carboximidamide
CID 90888355
N,N-dimethylethanamine;N'-(1,2,4-triazol-4-yl)pyridine-4-carboximidamide
CID 156710850
N'-(4-ethoxyphenyl)pyridine-4-carboximidamide
CID 12826054
pyridine;pyridine-4-carboxamide
CID 70513287

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide?
The IUPAC name of N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide (CID 172958470) is N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide.
What is the SMILES notation for N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide?
The canonical SMILES for N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide is NC(=N/N=C(\N)c1ccncc1)c1ccncc1.
What is the InChIKey of N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide?
The InChIKey is ZYTDSZDSBJVCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-11(9-1-5-15-6-2-9)17-18-12(14)10-3-7-16-8-4-10/h1-8H,(H2,13,17)(H2,14,18).
What are the key properties of N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide?
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide has a molecular weight of 240.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide is sourced from PubChem (CID 172958470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).