N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide

C13H12N4O2 — CID 19734501

IUPACN'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
SMILESN/C(=N\Cc1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C13H12N4O2/c14-13(11-2-1-7-15-9-11)16-8-10-3-5-12(6-4-10)17(18)19/h1-7,9H,8H2,(H2,14,16)
InChIKeyKVJHGFNUUANNML-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.90
Rot. Bonds4

About N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide

N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide (PubChem CID 19734501) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
PubChem CID19734501
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
SMILESN/C(=N\Cc1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C13H12N4O2/c14-13(11-2-1-7-15-9-11)16-8-10-3-5-12(6-4-10)17(18)19/h1-7,9H,8H2,(H2,14,16)
InChIKeyKVJHGFNUUANNML-UHFFFAOYSA-N
XLogP1.90
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
4-nitro-N-[(4-nitrophenyl)methyl]benzenecarboximidoyl chloride
CID 14472344
1,1,3,3-tetramethyl-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111064851
N'-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonylpyridine-3-carboximidamide
CID 2798557
[[amino(pyridin-3-yl)methylidene]amino] 2-(2-nitrophenyl)acetate
CID 2935904
N'-benzyl-3-iodo-5-nitrobenzenecarboximidamide;hydrochloride
CID 44783799
N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155565992
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
1-tert-butyl-2-[(4-nitrophenyl)methyl]guanidine
CID 62363744
ethane-1,2-diamine;3-nitropyridine
CID 142993055
2-nitro-1-pyridin-3-ylethenamine
CID 70571818

Frequently Asked Questions

What is the IUPAC name of N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide?
The IUPAC name of N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide (CID 19734501) is N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide is N/C(=N\Cc1ccc([N+](=O)[O-])cc1)c1cccnc1.
What is the InChIKey of N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide?
The InChIKey is KVJHGFNUUANNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13(11-2-1-7-15-9-11)16-8-10-3-5-12(6-4-10)17(18)19/h1-7,9H,8H2,(H2,14,16).
What are the key properties of N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide?
N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide has a molecular weight of 256.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 19734501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).