N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine

C12H17N3O3 — CID 55031819

IUPACN-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCOC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-15(17)11-6-3-7-13-12(11)14-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyDMSARMGUWFHQFK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.36
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine

N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine (PubChem CID 55031819) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
PubChem CID55031819
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCOC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-15(17)11-6-3-7-13-12(11)14-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyDMSARMGUWFHQFK-UHFFFAOYSA-N
XLogP2.36
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
CID 57073623
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-bromo-N-(2-cyclopentyloxyethyl)-4-methyl-5-nitropyridin-2-amine
CID 104507993
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine (CID 55031819) is N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
The InChIKey is DMSARMGUWFHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-15(17)11-6-3-7-13-12(11)14-8-9-18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14).
What are the key properties of N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine?
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 55031819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).