2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol

C13H22N4O3 — CID 80795713

IUPAC2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CCC)CCO)n1
InChIInChI=1S/C13H22N4O3/c1-3-7-14-12-6-5-11(17(19)20)13(15-12)16(8-4-2)9-10-18/h5-6,18H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyZEUOFAWVKWVXOA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.02
Rot. Bonds9

About 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol

2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol (PubChem CID 80795713) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
PubChem CID80795713
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CCC)CCO)n1
InChIInChI=1S/C13H22N4O3/c1-3-7-14-12-6-5-11(17(19)20)13(15-12)16(8-4-2)9-10-18/h5-6,18H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyZEUOFAWVKWVXOA-UHFFFAOYSA-N
XLogP2.02
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.02
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-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
CID 80806509
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802
2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 115988738
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530

Frequently Asked Questions

What is the IUPAC name of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol?
The IUPAC name of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol (CID 80795713) is 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol is CCCNc1ccc([N+](=O)[O-])c(N(CCC)CCO)n1.
What is the InChIKey of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol?
The InChIKey is ZEUOFAWVKWVXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-7-14-12-6-5-11(17(19)20)13(15-12)16(8-4-2)9-10-18/h5-6,18H,3-4,7-10H2,1-2H3,(H,14,15).
What are the key properties of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol?
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol has a molecular weight of 282.34 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol is sourced from PubChem (CID 80795713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).