N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine

C14H23N5O2 — CID 80803212

IUPACN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-11(2)10-17-6-8-18(9-7-17)14-12(19(20)21)4-5-13(15-3)16-14/h4-5,11H,6-10H2,1-3H3,(H,15,16)
InChIKeyJIDGDYPPBKWQFW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds5

About N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine

N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine (PubChem CID 80803212) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
PubChem CID80803212
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-11(2)10-17-6-8-18(9-7-17)14-12(19(20)21)4-5-13(15-3)16-14/h4-5,11H,6-10H2,1-3H3,(H,15,16)
InChIKeyJIDGDYPPBKWQFW-UHFFFAOYSA-N
XLogP1.81
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
6-N-methyl-3-nitro-2-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2,6-diamine
CID 80783478
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
N-methyl-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
CID 80829989
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
CID 174454326
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 80751116
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
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine?
The IUPAC name of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine (CID 80803212) is N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine?
The canonical SMILES for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)n1.
What is the InChIKey of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine?
The InChIKey is JIDGDYPPBKWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(2)10-17-6-8-18(9-7-17)14-12(19(20)21)4-5-13(15-3)16-14/h4-5,11H,6-10H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine?
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 80803212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).