N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

C18H14N6O3 — CID 135512389

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(/C=N/N/C(=N/c2ccccn2)c2ccccn2)ccc1O
InChIInChI=1S/C18H14N6O3/c25-16-8-7-13(11-15(16)24(26)27)12-21-23-18(14-5-1-3-9-19-14)22-17-6-2-4-10-20-17/h1-12,25H,(H,20,22,23)/b21-12+
InChIKeyTVNOYDJNDJHVSN-CIAFOILYSA-N
MW362.35 g/mol
LogP2.79
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (PubChem CID 135512389) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
PubChem CID135512389
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(/C=N/N/C(=N/c2ccccn2)c2ccccn2)ccc1O
InChIInChI=1S/C18H14N6O3/c25-16-8-7-13(11-15(16)24(26)27)12-21-23-18(14-5-1-3-9-19-14)22-17-6-2-4-10-20-17/h1-12,25H,(H,20,22,23)/b21-12+
InChIKeyTVNOYDJNDJHVSN-CIAFOILYSA-N
XLogP2.79
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-Hydroxy-3-(hydroxy(oxido)amino)benzaldehyde 2-quinolinylhydrazone
CID 3246517
Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone
CID 135538374
2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135443095
4-Nitro-2-[(E)-[2-(pyridin-2-YL)hydrazin-1-ylidene]methyl]phenol
CID 135504329
3-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 96102
4-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3904863
2-nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol
CID 135443556
2-Hydroxybenzaldehyde-5-nitro-pyridylhydrazone
CID 4387714
2-nitro-6-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135485449
Benzaldehyde, m-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 5356182
Benzaldehyde, p-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 135850203
N-[(2,4-dihydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3102285

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (CID 135512389) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is O=[N+]([O-])c1cc(/C=N/N/C(=N/c2ccccn2)c2ccccn2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The InChIKey is TVNOYDJNDJHVSN-CIAFOILYSA-N. The full InChI is InChI=1S/C18H14N6O3/c25-16-8-7-13(11-15(16)24(26)27)12-21-23-18(14-5-1-3-9-19-14)22-17-6-2-4-10-20-17/h1-12,25H,(H,20,22,23)/b21-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide has a molecular weight of 362.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 135512389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).