6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine

C14H22N4O2 — CID 80835304

IUPAC6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-7-6-11(18(19)20)13(16-12)17-9-5-8-14(2,3)10-17/h6-7H,4-5,8-10H2,1-3H3,(H,15,16)
InChIKeyAMDZTPIDTUMVBJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.05
Rot. Bonds4

About 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine

6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80835304) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80835304
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-7-6-11(18(19)20)13(16-12)17-9-5-8-14(2,3)10-17/h6-7H,4-5,8-10H2,1-3H3,(H,15,16)
InChIKeyAMDZTPIDTUMVBJ-UHFFFAOYSA-N
XLogP3.05
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.05
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

1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80790489
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
methyl 6-(3,3-dimethylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114404314
N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
CID 106322383
5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine (CID 80835304) is 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(N2CCCC(C)(C)C2)n1.
What is the InChIKey of 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is AMDZTPIDTUMVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-15-12-7-6-11(18(19)20)13(16-12)17-9-5-8-14(2,3)10-17/h6-7H,4-5,8-10H2,1-3H3,(H,15,16).
What are the key properties of 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine?
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80835304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).