[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide

C13H11N4- — CID 163838886

IUPAC[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
SMILES[H]/N=C(/N=C(\[NH-])c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11N4/c14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11/h1-9H,(H2-,14,15,17)/q-1
InChIKeyOKEKSIKWYHZNAS-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.91
Rot. Bonds2

About [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide

[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide (PubChem CID 163838886) has the molecular formula C13H11N4- and a molecular weight of 223.26 g/mol. Its IUPAC name is [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide.

Molecular Properties

Compound Name[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
PubChem CID163838886
Molecular FormulaC13H11N4-
Molecular Weight223.26 g/mol
Exact Mass223.10
IUPAC Name[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
SMILES[H]/N=C(/N=C(\[NH-])c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11N4/c14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11/h1-9H,(H2-,14,15,17)/q-1
InChIKeyOKEKSIKWYHZNAS-UHFFFAOYSA-N
XLogP2.91
TPSA72.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.91
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-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide 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

palladium(2+);bis([N-(pyridine-2-carboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide)
CID 139149323
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
2-phenyl-2-pyridin-2-ylethenimine
CID 139237404
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
1-pyridin-2-ylethane-1,2-diimine
CID 174501150
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
lithium pyridine-2-carbonylazanide
CID 87752623
2-(2,2-dibromo-1-phenylethenyl)pyridine
CID 139230167
ethyl 2-[C-phenoxy-N-(pyridine-2-carboximidoyl)carbonimidoyl]-1H-pyrrole-3-carboxylate
CID 137137520
gadolinium;pyridine-2-carboxylic acid
CID 175231422
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151

Frequently Asked Questions

What is the IUPAC name of [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide?
The IUPAC name of [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide (CID 163838886) is [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide.
What is the SMILES notation for [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide?
The canonical SMILES for [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide is [H]/N=C(/N=C(\[NH-])c1ccccn1)c1ccccc1.
What is the InChIKey of [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide?
The InChIKey is OKEKSIKWYHZNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N4/c14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11/h1-9H,(H2-,14,15,17)/q-1.
What are the key properties of [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide?
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide has a molecular weight of 223.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide is sourced from PubChem (CID 163838886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).