N-naphthalen-1-yl-3-nitropyridin-2-amine

C15H11N3O2 — CID 3725963

IUPACN-naphthalen-1-yl-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc2ccccc12
InChIInChI=1S/C15H11N3O2/c19-18(20)14-9-4-10-16-15(14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17)
InChIKeyJTULSYDADUJSQD-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.89
Rot. Bonds3

About N-naphthalen-1-yl-3-nitropyridin-2-amine

N-naphthalen-1-yl-3-nitropyridin-2-amine (PubChem CID 3725963) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-nitropyridin-2-amine
PubChem CID3725963
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC NameN-naphthalen-1-yl-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1cccc2ccccc12
InChIInChI=1S/C15H11N3O2/c19-18(20)14-9-4-10-16-15(14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17)
InChIKeyJTULSYDADUJSQD-UHFFFAOYSA-N
XLogP3.89
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

9-ethyl-N-(3-nitro-2-pyridinyl)carbazol-1-amine
CID 18766601
6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
3-[(3-nitro-2-pyridinyl)amino]-2-phenylbenzaldehyde
CID 88643270
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527503
6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22527520
1-nitronaphthalene;hydrate
CID 174470741
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 146173085

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-nitropyridin-2-amine?
The IUPAC name of N-naphthalen-1-yl-3-nitropyridin-2-amine (CID 3725963) is N-naphthalen-1-yl-3-nitropyridin-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-3-nitropyridin-2-amine?
The canonical SMILES for N-naphthalen-1-yl-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-nitropyridin-2-amine?
The InChIKey is JTULSYDADUJSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)14-9-4-10-16-15(14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,16,17).
What are the key properties of N-naphthalen-1-yl-3-nitropyridin-2-amine?
N-naphthalen-1-yl-3-nitropyridin-2-amine has a molecular weight of 265.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-nitropyridin-2-amine is sourced from PubChem (CID 3725963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).