N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide

C13H12N4O3 — CID 3819383

IUPACN'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide
SMILESNC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C13H12N4O3/c14-13(11-5-7-15-8-6-11)16-20-9-10-1-3-12(4-2-10)17(18)19/h1-8H,9H2,(H2,14,16)
InChIKeyYGZOUXFBHOOSQN-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.83
Rot. Bonds5

About N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide

N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide (PubChem CID 3819383) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide
PubChem CID3819383
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide
SMILESNC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C13H12N4O3/c14-13(11-5-7-15-8-6-11)16-20-9-10-1-3-12(4-2-10)17(18)19/h1-8H,9H2,(H2,14,16)
InChIKeyYGZOUXFBHOOSQN-UHFFFAOYSA-N
XLogP1.83
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide?
The IUPAC name of N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide (CID 3819383) is N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide.
What is the SMILES notation for N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide?
The canonical SMILES for N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide is NC(=NOCc1ccc([N+](=O)[O-])cc1)c1ccncc1.
What is the InChIKey of N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide?
The InChIKey is YGZOUXFBHOOSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-13(11-5-7-15-8-6-11)16-20-9-10-1-3-12(4-2-10)17(18)19/h1-8H,9H2,(H2,14,16).
What are the key properties of N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide?
N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide has a molecular weight of 272.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-nitrophenyl)methoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 3819383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).