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

C13H20N4O2 — CID 80766974

IUPAC6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)8-16(7-9)13-11(17(18)19)4-5-12(14-3)15-13/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)
InChIKeyYQLVSUSCPDBSNS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.51
Rot. Bonds3

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

6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80766974) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
PubChem CID80766974
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)8-16(7-9)13-11(17(18)19)4-5-12(14-3)15-13/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)
InChIKeyYQLVSUSCPDBSNS-UHFFFAOYSA-N
XLogP2.51
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.51
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

6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80836942
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80751116
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
CID 114782729

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine (CID 80766974) is 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is YQLVSUSCPDBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-10(2)8-16(7-9)13-11(17(18)19)4-5-12(14-3)15-13/h4-5,9-10H,6-8H2,1-3H3,(H,14,15).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine?
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80766974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).