(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine

C17H14N2O — CID 135871346

IUPAC(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-12(19-20)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,20H,1H3/b19-12+
InChIKeyXJMRKLBBGWVDTN-XDHOZWIPSA-N
MW262.31 g/mol
LogP4.10
Rot. Bonds2

About (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine

(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine (PubChem CID 135871346) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
PubChem CID135871346
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-12(19-20)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,20H,1H3/b19-12+
InChIKeyXJMRKLBBGWVDTN-XDHOZWIPSA-N
XLogP4.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634
methyl 6-naphthalen-1-ylpyridine-2-carboximidate
CID 59767355
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
3-ethylidene-6-naphthalen-1-yl-2-propan-2-ylidenepyridine
CID 123264017
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 158989069
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide
CID 123254346
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
CID 135528783
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 89292539

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine (CID 135871346) is (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine is C/C(=N\O)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine?
The InChIKey is XJMRKLBBGWVDTN-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12(19-20)16-10-5-11-17(18-16)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,20H,1H3/b19-12+.
What are the key properties of (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine?
(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine has a molecular weight of 262.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine is sourced from PubChem (CID 135871346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).