N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C13H15N5O3 — CID 80911491

IUPACN-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCOc1ccccc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O3/c1-2-21-11-6-4-3-5-9(11)15-13-10(18(19)20)7-8-12(16-13)17-14/h3-8H,2,14H2,1H3,(H2,15,16,17)
InChIKeyGWOGAHOCNIEUJC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.42
Rot. Bonds6

About N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80911491) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80911491
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCOc1ccccc1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O3/c1-2-21-11-6-4-3-5-9(11)15-13-10(18(19)20)7-8-12(16-13)17-14/h3-8H,2,14H2,1H3,(H2,15,16,17)
InChIKeyGWOGAHOCNIEUJC-UHFFFAOYSA-N
XLogP2.42
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-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

N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
6-N-ethyl-2-N-(2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 80750781
6-hydrazinyl-3-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 80904081
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
4-N-(2-ethoxyphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487241
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
CID 80729028

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 80911491) is N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is CCOc1ccccc1Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is GWOGAHOCNIEUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-2-21-11-6-4-3-5-9(11)15-13-10(18(19)20)7-8-12(16-13)17-14/h3-8H,2,14H2,1H3,(H2,15,16,17).
What are the key properties of N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80911491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).