6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine

C15H24N4O2 — CID 80778654

IUPAC6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(N2CCC(CC)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-9-16-14-6-5-13(19(20)21)15(17-14)18-10-7-12(4-2)8-11-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17)
InChIKeyPZHHYSLTRSKTPZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.44
Rot. Bonds6

About 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine

6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine (PubChem CID 80778654) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
PubChem CID80778654
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(N2CCC(CC)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-9-16-14-6-5-13(19(20)21)15(17-14)18-10-7-12(4-2)8-11-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17)
InChIKeyPZHHYSLTRSKTPZ-UHFFFAOYSA-N
XLogP3.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80840944
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80898026
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine (CID 80778654) is 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(N2CCC(CC)CC2)n1.
What is the InChIKey of 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine?
The InChIKey is PZHHYSLTRSKTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-9-16-14-6-5-13(19(20)21)15(17-14)18-10-7-12(4-2)8-11-18/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,17).
What are the key properties of 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine?
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 80778654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).