N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

C12H19N5O2 — CID 63266171

IUPACN-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCNCC1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O2/c1-15(8-9-16-6-4-13-5-7-16)12-3-2-11(10-14-12)17(18)19/h2-3,10,13H,4-9H2,1H3
InChIKeyXFKMVDPOMGNXPB-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.33
Rot. Bonds5

About N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (PubChem CID 63266171) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
PubChem CID63266171
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESCN(CCN1CCNCC1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O2/c1-15(8-9-16-6-4-13-5-7-16)12-3-2-11(10-14-12)17(18)19/h2-3,10,13H,4-9H2,1H3
InChIKeyXFKMVDPOMGNXPB-UHFFFAOYSA-N
XLogP0.33
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.33
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

N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 66278748
N',N'-dimethyl-N-[2-[methyl-(5-nitro-2-pyridinyl)amino]ethyl]ethane-1,2-diamine
CID 18335019
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
1-N-methyl-4-nitro-1-N-(2-piperazin-1-ylethyl)benzene-1,3-diamine
CID 106749826
1-[3-(4-nitrophenoxy)propyl]piperazine
CID 2944313
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877
N,5-dimethyl-N-(2-piperazin-1-ylethyl)-1H-imidazol-2-amine
CID 106552628
N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide
CID 141358879
1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
CID 66013026

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (CID 63266171) is N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is CN(CCN1CCNCC1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The InChIKey is XFKMVDPOMGNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15(8-9-16-6-4-13-5-7-16)12-3-2-11(10-14-12)17(18)19/h2-3,10,13H,4-9H2,1H3.
What are the key properties of N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 63266171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).