2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol

C12H17N3O3 — CID 54998817

IUPAC2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cccnc1N(CCO)C1CCCC1
InChIInChI=1S/C12H17N3O3/c16-9-8-14(10-4-1-2-5-10)12-11(15(17)18)6-3-7-13-12/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyKWJDDECVULFUOB-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.73
Rot. Bonds5

About 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol

2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 54998817) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
PubChem CID54998817
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cccnc1N(CCO)C1CCCC1
InChIInChI=1S/C12H17N3O3/c16-9-8-14(10-4-1-2-5-10)12-11(15(17)18)6-3-7-13-12/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyKWJDDECVULFUOB-UHFFFAOYSA-N
XLogP1.73
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.73
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

3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 102869017
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-3-carbaldehyde
CID 114055510
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232892
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
CID 102875746
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol (CID 54998817) is 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol is O=[N+]([O-])c1cccnc1N(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is KWJDDECVULFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-8-14(10-4-1-2-5-10)12-11(15(17)18)6-3-7-13-12/h3,6-7,10,16H,1-2,4-5,8-9H2.
What are the key properties of 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol?
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 54998817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).