1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol

C13H20N4O3 — CID 80842246

IUPAC1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2(O)CCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-2-14-11-6-5-10(17(19)20)12(16-11)15-9-13(18)7-3-4-8-13/h5-6,18H,2-4,7-9H2,1H3,(H2,14,15,16)
InChIKeyUCWBYGYHHDAHGL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.14
Rot. Bonds6

About 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol

1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842246) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID80842246
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2(O)CCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-2-14-11-6-5-10(17(19)20)12(16-11)15-9-13(18)7-3-4-8-13/h5-6,18H,2-4,7-9H2,1H3,(H2,14,15,16)
InChIKeyUCWBYGYHHDAHGL-UHFFFAOYSA-N
XLogP2.14
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
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

4-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]oxan-4-ol
CID 81134514
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80830213
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 80842246) is 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol is CCNc1ccc([N+](=O)[O-])c(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is UCWBYGYHHDAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-14-11-6-5-10(17(19)20)12(16-11)15-9-13(18)7-3-4-8-13/h5-6,18H,2-4,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).