methyl 6-naphthalen-1-ylpyridine-2-carboximidate

C17H14N2O — CID 59767355

IUPACmethyl 6-naphthalen-1-ylpyridine-2-carboximidate
SMILES[H]/N=C(\OC)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-20-17(18)16-11-5-10-15(19-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18H,1H3/b18-17-
InChIKeySOBHATHIUFSBAJ-ZCXUNETKSA-N
MW262.31 g/mol
LogP3.87
Rot. Bonds2

About methyl 6-naphthalen-1-ylpyridine-2-carboximidate

methyl 6-naphthalen-1-ylpyridine-2-carboximidate (PubChem CID 59767355) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 6-naphthalen-1-ylpyridine-2-carboximidate.

Molecular Properties

Compound Namemethyl 6-naphthalen-1-ylpyridine-2-carboximidate
PubChem CID59767355
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Namemethyl 6-naphthalen-1-ylpyridine-2-carboximidate
SMILES[H]/N=C(\OC)c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-20-17(18)16-11-5-10-15(19-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18H,1H3/b18-17-
InChIKeySOBHATHIUFSBAJ-ZCXUNETKSA-N
XLogP3.87
TPSA45.97 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 135871346
N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634
2-S-[6-(3-methyl-3,4-dihydronaphthalen-1-yl)pyridine-2-carboximidoyl] 5-S-(6-naphthalen-1-ylpyridine-2-carboximidoyl) thiophene-2,5-dicarboximidothioate
CID 143560806
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 2-naphthalen-1-ylethanimidate;hydrochloride
CID 19863964
3-ethylidene-6-naphthalen-1-yl-2-propan-2-ylidenepyridine
CID 123264017
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
5,6-dimethyl-2,9-dinaphthalen-1-yl-1,10-phenanthroline
CID 20596675
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564

Frequently Asked Questions

What is the IUPAC name of methyl 6-naphthalen-1-ylpyridine-2-carboximidate?
The IUPAC name of methyl 6-naphthalen-1-ylpyridine-2-carboximidate (CID 59767355) is methyl 6-naphthalen-1-ylpyridine-2-carboximidate.
What is the SMILES notation for methyl 6-naphthalen-1-ylpyridine-2-carboximidate?
The canonical SMILES for methyl 6-naphthalen-1-ylpyridine-2-carboximidate is [H]/N=C(\OC)c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of methyl 6-naphthalen-1-ylpyridine-2-carboximidate?
The InChIKey is SOBHATHIUFSBAJ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O/c1-20-17(18)16-11-5-10-15(19-16)14-9-4-7-12-6-2-3-8-13(12)14/h2-11,18H,1H3/b18-17-.
What are the key properties of methyl 6-naphthalen-1-ylpyridine-2-carboximidate?
methyl 6-naphthalen-1-ylpyridine-2-carboximidate has a molecular weight of 262.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-naphthalen-1-ylpyridine-2-carboximidate is sourced from PubChem (CID 59767355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).