[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine

C13H19N3O4 — CID 115323428

IUPAC[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CCCC2CN)n1
InChIInChI=1S/C13H19N3O4/c1-19-12-6-5-11(16(17)18)13(15-12)20-8-10-4-2-3-9(10)7-14/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyJWMDHTMNGWEVDK-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.75
Rot. Bonds6

About [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine

[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine (PubChem CID 115323428) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
PubChem CID115323428
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CCCC2CN)n1
InChIInChI=1S/C13H19N3O4/c1-19-12-6-5-11(16(17)18)13(15-12)20-8-10-4-2-3-9(10)7-14/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyJWMDHTMNGWEVDK-UHFFFAOYSA-N
XLogP1.75
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.75
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

6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-3-nitropyridin-2-amine
CID 115323291
[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
CID 80744445
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
[2-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
CID 66332275
[6-(cyclopentylmethoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80923785
(2S)-2-[(6-methoxy-5-nitro-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 68826905
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
6-[2-(aminomethyl)cyclohexyl]oxy-3-nitropyridine-2-carbonitrile
CID 103473314
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine?
The IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine (CID 115323428) is [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine is COc1ccc([N+](=O)[O-])c(OCC2CCCC2CN)n1.
What is the InChIKey of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine?
The InChIKey is JWMDHTMNGWEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-12-6-5-11(16(17)18)13(15-12)20-8-10-4-2-3-9(10)7-14/h5-6,9-10H,2-4,7-8,14H2,1H3.
What are the key properties of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine?
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine has a molecular weight of 281.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine is sourced from PubChem (CID 115323428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).