6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine

C13H19N3O4 — CID 80876882

IUPAC6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H19N3O4/c1-14-12-7-6-11(16(17)18)13(15-12)20-10-5-3-4-9(8-10)19-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyNCVGYEYIKGQQLV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.37
Rot. Bonds5

About 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine

6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine (PubChem CID 80876882) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
PubChem CID80876882
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(OC2CCCC(OC)C2)n1
InChIInChI=1S/C13H19N3O4/c1-14-12-7-6-11(16(17)18)13(15-12)20-10-5-3-4-9(8-10)19-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyNCVGYEYIKGQQLV-UHFFFAOYSA-N
XLogP2.37
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.37
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'}

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Related Compounds

2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
6-chloro-2-(1-methylpiperidin-1-ium-4-yl)oxy-3-nitropyridine chloride
CID 110185311
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80876574
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine (CID 80876882) is 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(OC2CCCC(OC)C2)n1.
What is the InChIKey of 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine?
The InChIKey is NCVGYEYIKGQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-14-12-7-6-11(16(17)18)13(15-12)20-10-5-3-4-9(8-10)19-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine?
6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80876882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).