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

C13H20N4O3 — CID 106138108

IUPAC3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-2-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyHIAOLGBGVKQWAW-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.99
Rot. Bonds6

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

3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 106138108) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID106138108
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-2-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyHIAOLGBGVKQWAW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632983
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
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
3-[[3-(ethylamino)-2-nitroanilino]methyl]cyclopentan-1-ol
CID 106137977
3-[(5-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 114147125
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 106138108) is 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol is CCNc1ccc([N+](=O)[O-])c(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is HIAOLGBGVKQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).