2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine

C11H16N4O3 — CID 114118406

IUPAC2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
SMILESCOC1CCC(Nc2nc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O3/c1-18-8-3-2-7(6-8)13-11-9(15(16)17)4-5-10(12)14-11/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyDTDGFYHMHJCJQI-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.55
Rot. Bonds4

About 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine

2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine (PubChem CID 114118406) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
PubChem CID114118406
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
SMILESCOC1CCC(Nc2nc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O3/c1-18-8-3-2-7(6-8)13-11-9(15(16)17)4-5-10(12)14-11/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14)
InChIKeyDTDGFYHMHJCJQI-UHFFFAOYSA-N
XLogP1.55
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
CID 103082010
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
3-nitro-2-N-(oxan-3-yl)pyridine-2,6-diamine
CID 80830518
2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
CID 80827019
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
3-fluoro-N-(3-methoxycyclopentyl)-2-nitroaniline
CID 103082049
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084
methyl 5-nitro-6-(oxan-4-ylamino)pyridine-2-carboxylate
CID 114403697
N-(4-methoxycyclohexyl)-2-nitroaniline
CID 113414363

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine (CID 114118406) is 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine is COC1CCC(Nc2nc(N)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine?
The InChIKey is DTDGFYHMHJCJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-8-3-2-7(6-8)13-11-9(15(16)17)4-5-10(12)14-11/h4-5,7-8H,2-3,6H2,1H3,(H3,12,13,14).
What are the key properties of 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine?
2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine has a molecular weight of 252.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 114118406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).