2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol

C14H22N4O3 — CID 80786969

IUPAC2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C14H22N4O3/c1-2-15-13-8-7-12(18(20)21)14(16-13)17(9-10-19)11-5-3-4-6-11/h7-8,11,19H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyGLPGAMZSCKTWIO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.16
Rot. Bonds7

About 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol

2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol (PubChem CID 80786969) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
PubChem CID80786969
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
SMILESCCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C14H22N4O3/c1-2-15-13-8-7-12(18(20)21)14(16-13)17(9-10-19)11-5-3-4-6-11/h7-8,11,19H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyGLPGAMZSCKTWIO-UHFFFAOYSA-N
XLogP2.16
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.16
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

2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
CID 102875746
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
6-N-ethyl-2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80788382
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol (CID 80786969) is 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol is CCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
The InChIKey is GLPGAMZSCKTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-15-13-8-7-12(18(20)21)14(16-13)17(9-10-19)11-5-3-4-6-11/h7-8,11,19H,2-6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol?
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol has a molecular weight of 294.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).