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

C14H22N4O3 — CID 102875746

IUPAC2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H22N4O3/c1-2-8-15-13-7-6-12(18(20)21)14(16-13)17(9-10-19)11-4-3-5-11/h6-7,11,19H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyNFNBVMBHSRBKEW-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.16
Rot. Bonds8

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

2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol (PubChem CID 102875746) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
PubChem CID102875746
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol
SMILESCCCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H22N4O3/c1-2-8-15-13-7-6-12(18(20)21)14(16-13)17(9-10-19)11-4-3-5-11/h6-7,11,19H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyNFNBVMBHSRBKEW-UHFFFAOYSA-N
XLogP2.16
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
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-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
2-[cyclobutyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 102875668
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[N-cyclobutyl-2-nitro-3-(propylamino)anilino]ethanol
CID 102875643
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol (CID 102875746) is 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol is CCCNc1ccc([N+](=O)[O-])c(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol?
The InChIKey is NFNBVMBHSRBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-8-15-13-7-6-12(18(20)21)14(16-13)17(9-10-19)11-4-3-5-11/h6-7,11,19H,2-5,8-10H2,1H3,(H,15,16).
What are the key properties of 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol?
2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 102875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).