N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine

C14H21N3O3 — CID 115321476

IUPACN-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCCC1CCCCC1Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-3-10-6-4-5-7-11(10)15-14-12(17(18)19)8-9-13(16-14)20-2/h8-11H,3-7H2,1-2H3,(H,15,16)
InChIKeyOQJMDDNURZCMLV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds5

About N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine

N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 115321476) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID115321476
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCCC1CCCCC1Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-3-10-6-4-5-7-11(10)15-14-12(17(18)19)8-9-13(16-14)20-2/h8-11H,3-7H2,1-2H3,(H,15,16)
InChIKeyOQJMDDNURZCMLV-UHFFFAOYSA-N
XLogP3.38
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321546
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 115323228
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine (CID 115321476) is N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine is CCC1CCCCC1Nc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is OQJMDDNURZCMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-6-4-5-7-11(10)15-14-12(17(18)19)8-9-13(16-14)20-2/h8-11H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine?
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 115321476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).