N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine

C11H16N4O2 — CID 80790379

IUPACN-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2C)n1
InChIInChI=1S/C11H16N4O2/c1-8-4-3-7-14(8)11-9(15(16)17)5-6-10(12-2)13-11/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyYFRORVFYDPVTMJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine

N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine (PubChem CID 80790379) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
PubChem CID80790379
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2C)n1
InChIInChI=1S/C11H16N4O2/c1-8-4-3-7-14(8)11-9(15(16)17)5-6-10(12-2)13-11/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyYFRORVFYDPVTMJ-UHFFFAOYSA-N
XLogP2.02
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.02
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-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80765479
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
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-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
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
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine?
The IUPAC name of N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine (CID 80790379) is N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CCCC2C)n1.
What is the InChIKey of N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine?
The InChIKey is YFRORVFYDPVTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-4-3-7-14(8)11-9(15(16)17)5-6-10(12-2)13-11/h5-6,8H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine?
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80790379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).