N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine

C12H15F3N4O2 — CID 80829989

IUPACN-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N4O2/c1-16-10-3-2-9(19(20)21)11(17-10)18-6-4-8(5-7-18)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyADFWXCUOSGVGSS-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.81
Rot. Bonds3

About N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine

N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine (PubChem CID 80829989) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
PubChem CID80829989
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N4O2/c1-16-10-3-2-9(19(20)21)11(17-10)18-6-4-8(5-7-18)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyADFWXCUOSGVGSS-UHFFFAOYSA-N
XLogP2.81
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.81
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-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
CID 80803212
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
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
1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80765479

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine (CID 80829989) is N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The InChIKey is ADFWXCUOSGVGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-16-10-3-2-9(19(20)21)11(17-10)18-6-4-8(5-7-18)12(13,14)15/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine has a molecular weight of 304.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 80829989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).