N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine

C17H15N3O3 — CID 17416767

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCOc1ccc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2c1
InChIInChI=1S/C17H15N3O3/c1-23-16-6-4-13-8-12(2-3-14(13)9-16)10-18-17-7-5-15(11-19-17)20(21)22/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJQIVPWYEIDOWDS-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.76
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 17416767) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
PubChem CID17416767
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCOc1ccc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2c1
InChIInChI=1S/C17H15N3O3/c1-23-16-6-4-13-8-12(2-3-14(13)9-16)10-18-17-7-5-15(11-19-17)20(21)22/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyJQIVPWYEIDOWDS-UHFFFAOYSA-N
XLogP3.76
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100660094
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 47406157
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
(2R)-2-N-(3-methoxyphenyl)-3,3-dimethyl-1-N-(5-nitro-2-pyridinyl)butane-1,2-diamine
CID 99786033

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine (CID 17416767) is N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine is COc1ccc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is JQIVPWYEIDOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-16-6-4-13-8-12(2-3-14(13)9-16)10-18-17-7-5-15(11-19-17)20(21)22/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 309.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 17416767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).