N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide

C22H17N5 — CID 70387790

IUPACN'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide
SMILESc1ccc(NN=C(/N=N/c2cccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C22H17N5/c1-2-11-18(12-3-1)24-26-22(21-14-6-7-16-23-21)27-25-20-15-8-10-17-9-4-5-13-19(17)20/h1-16,24H/b26-22?,27-25+
InChIKeyBGWFIURKVFBPGG-FGHSJBILSA-N
MW351.41 g/mol
LogP5.79
Rot. Bonds4

About N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide

N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide (PubChem CID 70387790) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide
PubChem CID70387790
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC NameN'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide
SMILESc1ccc(NN=C(/N=N/c2cccc3ccccc23)c2ccccn2)cc1
InChIInChI=1S/C22H17N5/c1-2-11-18(12-3-1)24-26-22(21-14-6-7-16-23-21)27-25-20-15-8-10-17-9-4-5-13-19(17)20/h1-16,24H/b26-22?,27-25+
InChIKeyBGWFIURKVFBPGG-FGHSJBILSA-N
XLogP5.79
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-anilino-N-pyridin-2-ylimino-1H-indole-3-carboximidamide
CID 135804010
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
CID 175078571
CID 175078571
2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
CID 135850737
4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4092858
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
CID 71393717
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
[5-(naphthalen-1-yldiazenyl)quinolin-8-yl] (3S)-3-phenylbutanoate
CID 101461426
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine
CID 102220740
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
(6Z)-6-[(4-iodophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 40901437

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide?
The IUPAC name of N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide (CID 70387790) is N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide.
What is the SMILES notation for N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide?
The canonical SMILES for N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide is c1ccc(NN=C(/N=N/c2cccc3ccccc23)c2ccccn2)cc1.
What is the InChIKey of N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide?
The InChIKey is BGWFIURKVFBPGG-FGHSJBILSA-N. The full InChI is InChI=1S/C22H17N5/c1-2-11-18(12-3-1)24-26-22(21-14-6-7-16-23-21)27-25-20-15-8-10-17-9-4-5-13-19(17)20/h1-16,24H/b26-22?,27-25+.
What are the key properties of N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide?
N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide has a molecular weight of 351.41 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide is sourced from PubChem (CID 70387790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).