N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine

C12H19N5O2 — CID 63897277

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
SMILESCN1CCN(C)C(CNc2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C12H19N5O2/c1-15-5-6-16(2)11(9-15)8-13-10-3-4-12(14-7-10)17(18)19/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyJEVOXKICTUHMQH-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.65
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine (PubChem CID 63897277) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
PubChem CID63897277
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
SMILESCN1CCN(C)C(CNc2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C12H19N5O2/c1-15-5-6-16(2)11(9-15)8-13-10-3-4-12(14-7-10)17(18)19/h3-4,7,11,13H,5-6,8-9H2,1-2H3
InChIKeyJEVOXKICTUHMQH-UHFFFAOYSA-N
XLogP0.65
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.65
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-[(1,4-dimethylpiperazin-2-yl)methyl]-4-nitroaniline
CID 63897830
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-5-nitroaniline
CID 115981375
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylsulfonylaniline
CID 63897640
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethylsulfonylaniline
CID 63899170
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2-nitroaniline
CID 63896548
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 63896770
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
CID 63713128
4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-nitroaniline
CID 63898789
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 63897643

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine (CID 63897277) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine is CN1CCN(C)C(CNc2ccc([N+](=O)[O-])nc2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine?
The InChIKey is JEVOXKICTUHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-5-6-16(2)11(9-15)8-13-10-3-4-12(14-7-10)17(18)19/h3-4,7,11,13H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine has a molecular weight of 265.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 63897277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).