6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine

C12H20N6O2 — CID 79825482

IUPAC6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
SMILESCN1CCN(CCNc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H20N6O2/c1-16-6-8-17(9-7-16)5-4-14-11-3-2-10(18(19)20)12(13)15-11/h2-3H,4-9H2,1H3,(H3,13,14,15)
InChIKeyXHWFKVNZCQZZEC-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.23
Rot. Bonds5

About 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine

6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine (PubChem CID 79825482) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
PubChem CID79825482
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
SMILESCN1CCN(CCNc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H20N6O2/c1-16-6-8-17(9-7-16)5-4-14-11-3-2-10(18(19)20)12(13)15-11/h2-3H,4-9H2,1H3,(H3,13,14,15)
InChIKeyXHWFKVNZCQZZEC-UHFFFAOYSA-N
XLogP0.23
TPSA100.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
CID 79826230
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine (CID 79825482) is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine is CN1CCN(CCNc2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine?
The InChIKey is XHWFKVNZCQZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-16-6-8-17(9-7-16)5-4-14-11-3-2-10(18(19)20)12(13)15-11/h2-3H,4-9H2,1H3,(H3,13,14,15).
What are the key properties of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine?
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 280.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79825482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).