N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine

C21H15N3O2 — CID 72736085

IUPACN-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2cc3ccccc3cc2-c2ccccn2)cc1
InChIInChI=1S/C21H15N3O2/c25-24(26)18-10-8-17(9-11-18)23-21-14-16-6-2-1-5-15(16)13-19(21)20-7-3-4-12-22-20/h1-14,23H
InChIKeyUYDFIXWPHOUQCW-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.55
Rot. Bonds4

About N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine

N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine (PubChem CID 72736085) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
PubChem CID72736085
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2cc3ccccc3cc2-c2ccccn2)cc1
InChIInChI=1S/C21H15N3O2/c25-24(26)18-10-8-17(9-11-18)23-21-14-16-6-2-1-5-15(16)13-19(21)20-7-3-4-12-22-20/h1-14,23H
InChIKeyUYDFIXWPHOUQCW-UHFFFAOYSA-N
XLogP5.55
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.55
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'}

Analyze N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
CID 168986296
N-methyl-4-nitro-2-pyridin-2-ylaniline
CID 58174468
4-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
CID 72735878
N-(4-nitrophenyl)-2-benzofuran-1-amine
CID 175690055
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
2-(4-nitroanilino)phenol
CID 14224817
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
4-nitro-N-(2-pyridin-2-ylphenyl)benzenesulfonamide;palladium;pyridine;hydrofluoride
CID 44540787
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 102423646
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine?
The IUPAC name of N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine (CID 72736085) is N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine?
The canonical SMILES for N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine is O=[N+]([O-])c1ccc(Nc2cc3ccccc3cc2-c2ccccn2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine?
The InChIKey is UYDFIXWPHOUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-24(26)18-10-8-17(9-11-18)23-21-14-16-6-2-1-5-15(16)13-19(21)20-7-3-4-12-22-20/h1-14,23H.
What are the key properties of N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine?
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine has a molecular weight of 341.37 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine is sourced from PubChem (CID 72736085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).