N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine

C12H17N3O3 — CID 103082010

IUPACN-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
SMILESCOC1CCC(Nc2nc(C)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H17N3O3/c1-8-3-6-11(15(16)17)12(13-8)14-9-4-5-10(7-9)18-2/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyQORHQRWFGAKSBE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds4

About N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine

N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 103082010) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID103082010
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
SMILESCOC1CCC(Nc2nc(C)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H17N3O3/c1-8-3-6-11(15(16)17)12(13-8)14-9-4-5-10(7-9)18-2/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyQORHQRWFGAKSBE-UHFFFAOYSA-N
XLogP2.28
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
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

2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
CID 114118406
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide
CID 138007274
N-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
3-fluoro-N-(3-methoxycyclopentyl)-2-nitroaniline
CID 103082049
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
CID 81139047
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine (CID 103082010) is N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine is COC1CCC(Nc2nc(C)ccc2[N+](=O)[O-])C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is QORHQRWFGAKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-3-6-11(15(16)17)12(13-8)14-9-4-5-10(7-9)18-2/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine?
N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103082010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).