N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine

C17H15N3O3 — CID 26448348

IUPACN-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)nc1
InChIInChI=1S/C17H15N3O3/c21-20(22)15-6-8-17(19-12-15)18-9-10-23-16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12H,9-10H2,(H,18,19)
InChIKeyGPZIJKNQKQZRNE-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.63
Rot. Bonds6

About N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine

N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine (PubChem CID 26448348) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
PubChem CID26448348
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)nc1
InChIInChI=1S/C17H15N3O3/c21-20(22)15-6-8-17(19-12-15)18-9-10-23-16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12H,9-10H2,(H,18,19)
InChIKeyGPZIJKNQKQZRNE-UHFFFAOYSA-N
XLogP3.63
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-fluorophenoxy)ethyl]-5-nitropyridin-2-amine
CID 16560906
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
3-methyl-N-(2-naphthalen-2-yloxyethyl)-5-nitroimidazol-4-amine
CID 40729024
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260
5-nitro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridin-2-amine
CID 133398666
N-[2-(4-aminocyclohexyl)oxyethyl]-5-nitropyridin-2-amine
CID 63870865
N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
CID 26543227
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine (CID 26448348) is N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCOc2ccc3ccccc3c2)nc1.
What is the InChIKey of N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine?
The InChIKey is GPZIJKNQKQZRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-20(22)15-6-8-17(19-12-15)18-9-10-23-16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12H,9-10H2,(H,18,19).
What are the key properties of N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine?
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine has a molecular weight of 309.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 26448348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).