6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine

C13H22N4O3 — CID 82947445

IUPAC6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
SMILESCCCOCCCNc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O3/c1-3-9-20-10-5-8-15-13-11(17(18)19)6-7-12(16-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyILOODLLVKRCKGK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.65
Rot. Bonds10

About 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine

6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine (PubChem CID 82947445) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
PubChem CID82947445
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
SMILESCCCOCCCNc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O3/c1-3-9-20-10-5-8-15-13-11(17(18)19)6-7-12(16-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16)
InChIKeyILOODLLVKRCKGK-UHFFFAOYSA-N
XLogP2.65
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332229
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine (CID 82947445) is 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine is CCCOCCCNc1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine?
The InChIKey is ILOODLLVKRCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-9-20-10-5-8-15-13-11(17(18)19)6-7-12(16-13)14-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine?
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine has a molecular weight of 282.34 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine is sourced from PubChem (CID 82947445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).