N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

C18H14N6O2 — CID 5339907

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1ccccc1/C=N/NC(=Nc1ccccn1)c1ccccn1
InChIInChI=1S/C18H14N6O2/c25-24(26)16-9-2-1-7-14(16)13-21-23-18(15-8-3-5-11-19-15)22-17-10-4-6-12-20-17/h1-13H,(H,20,22,23)/b21-13+
InChIKeyURVIIWABLXZTHP-FYJGNVAPSA-N
MW346.35 g/mol
LogP3.09
Rot. Bonds5

About N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (PubChem CID 5339907) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
PubChem CID5339907
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1ccccc1/C=N/NC(=Nc1ccccn1)c1ccccn1
InChIInChI=1S/C18H14N6O2/c25-24(26)16-9-2-1-7-14(16)13-21-23-18(15-8-3-5-11-19-15)22-17-10-4-6-12-20-17/h1-13H,(H,20,22,23)/b21-13+
InChIKeyURVIIWABLXZTHP-FYJGNVAPSA-N
XLogP3.09
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3097180
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 3412202
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 135411868
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135683256
N-[(2-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 790794
methyl 4-[(Z)-[(C,N-dipyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoate
CID 26366500
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 6032239
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (CID 5339907) is N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is O=[N+]([O-])c1ccccc1/C=N/NC(=Nc1ccccn1)c1ccccn1.
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The InChIKey is URVIIWABLXZTHP-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-24(26)16-9-2-1-7-14(16)13-21-23-18(15-8-3-5-11-19-15)22-17-10-4-6-12-20-17/h1-13H,(H,20,22,23)/b21-13+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide has a molecular weight of 346.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 5339907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).