N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

C18H13N7O5 — CID 3097180

IUPACN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13N7O5/c26-17-12(9-13(24(27)28)10-15(17)25(29)30)11-21-23-18(14-5-1-3-7-19-14)22-16-6-2-4-8-20-16/h1-11,26H,(H,20,22,23)
InChIKeyYXHFYSBSJPNOKG-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.70
Rot. Bonds6

About N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (PubChem CID 3097180) has the molecular formula C18H13N7O5 and a molecular weight of 407.35 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
PubChem CID3097180
Molecular FormulaC18H13N7O5
Molecular Weight407.35 g/mol
Exact Mass407.10
IUPAC NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H13N7O5/c26-17-12(9-13(24(27)28)10-15(17)25(29)30)11-21-23-18(14-5-1-3-7-19-14)22-16-6-2-4-8-20-16/h1-11,26H,(H,20,22,23)
InChIKeyYXHFYSBSJPNOKG-UHFFFAOYSA-N
XLogP2.70
TPSA169.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 5339907
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 3412202
2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135458967
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 135411868
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
1-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenylurea
CID 135403951
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 6032239
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135683256
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
2-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135833934
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135629473

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (CID 3097180) is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is O=[N+]([O-])c1cc(C=NNC(=Nc2ccccn2)c2ccccn2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The InChIKey is YXHFYSBSJPNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O5/c26-17-12(9-13(24(27)28)10-15(17)25(29)30)11-21-23-18(14-5-1-3-7-19-14)22-16-6-2-4-8-20-16/h1-11,26H,(H,20,22,23).
What are the key properties of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide has a molecular weight of 407.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 3097180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).