6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine

C14H23N5O2 — CID 80786129

IUPAC6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)n1
InChIInChI=1S/C14H23N5O2/c1-2-15-13-7-6-12(19(20)21)14(17-13)16-8-11-18-9-4-3-5-10-18/h6-7H,2-5,8-11H2,1H3,(H2,15,16,17)
InChIKeyINRIHUKXJAEAJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.32
Rot. Bonds7

About 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine

6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine (PubChem CID 80786129) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
PubChem CID80786129
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)n1
InChIInChI=1S/C14H23N5O2/c1-2-15-13-7-6-12(19(20)21)14(17-13)16-8-11-18-9-4-3-5-10-18/h6-7H,2-5,8-11H2,1H3,(H2,15,16,17)
InChIKeyINRIHUKXJAEAJK-UHFFFAOYSA-N
XLogP2.32
TPSA83.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.32
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-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
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
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
N-[3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]propyl]methanesulfonamide
CID 106332229
5-nitro-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 114044720
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine (CID 80786129) is 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)n1.
What is the InChIKey of 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine?
The InChIKey is INRIHUKXJAEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-15-13-7-6-12(19(20)21)14(17-13)16-8-11-18-9-4-3-5-10-18/h6-7H,2-5,8-11H2,1H3,(H2,15,16,17).
What are the key properties of 6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine?
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine has a molecular weight of 293.37 g/mol, XLogP of 2.32, 7 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-(2-piperidin-1-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80786129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).