N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine

C10H15N3O3 — CID 58532148

IUPACN-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-3-16-7-6-11-10-9(13(14)15)5-4-8(2)12-10/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyIOGYFOOCWURLPV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.75
Rot. Bonds6

About N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine

N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 58532148) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID58532148
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine
SMILESCCOCCNc1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-3-16-7-6-11-10-9(13(14)15)5-4-8(2)12-10/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyIOGYFOOCWURLPV-UHFFFAOYSA-N
XLogP1.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.75
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'}

Analyze N-(2-ethoxyethyl)-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine (CID 58532148) is N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine is CCOCCNc1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is IOGYFOOCWURLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-7-6-11-10-9(13(14)15)5-4-8(2)12-10/h4-5H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine?
N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 58532148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).