N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine

C13H17N3O4 — CID 103863968

IUPACN-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC2C2CC2)n1
InChIInChI=1S/C13H17N3O4/c1-19-11-5-4-10(16(17)18)13(15-11)14-9-6-7-20-12(9)8-2-3-8/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBDAQUMQZVZLQBO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.98
Rot. Bonds5

About N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine

N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 103863968) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID103863968
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCOC2C2CC2)n1
InChIInChI=1S/C13H17N3O4/c1-19-11-5-4-10(16(17)18)13(15-11)14-9-6-7-20-12(9)8-2-3-8/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBDAQUMQZVZLQBO-UHFFFAOYSA-N
XLogP1.98
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-cyclopropyloxolan-3-yl)-6-methoxy-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-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine (CID 103863968) is N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NC2CCOC2C2CC2)n1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is BDAQUMQZVZLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11-5-4-10(16(17)18)13(15-11)14-9-6-7-20-12(9)8-2-3-8/h4-5,8-9,12H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine?
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 279.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 103863968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).