2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine

C13H22N6O2 — CID 83034182

IUPAC2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)n1
InChIInChI=1S/C13H22N6O2/c1-3-6-14-12-5-4-11(19(20)21)13(15-12)16-18-9-7-17(2)8-10-18/h4-5H,3,6-10H2,1-2H3,(H2,14,15,16)
InChIKeyBJDDZDVMUIMSPD-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.39
Rot. Bonds6

About 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine

2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine (PubChem CID 83034182) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
PubChem CID83034182
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCNc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)n1
InChIInChI=1S/C13H22N6O2/c1-3-6-14-12-5-4-11(19(20)21)13(15-12)16-18-9-7-17(2)8-10-18/h4-5H,3,6-10H2,1-2H3,(H2,14,15,16)
InChIKeyBJDDZDVMUIMSPD-UHFFFAOYSA-N
XLogP1.39
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.39
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'}

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Related Compounds

2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
6-[(4-methylpiperazin-1-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471923
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine (CID 83034182) is 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine is CCCNc1ccc([N+](=O)[O-])c(NN2CCN(C)CC2)n1.
What is the InChIKey of 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The InChIKey is BJDDZDVMUIMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-6-14-12-5-4-11(19(20)21)13(15-12)16-18-9-7-17(2)8-10-18/h4-5H,3,6-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine?
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 83034182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).