N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

C13H21N5O2 — CID 66278748

IUPACN,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESCc1cnc(N(C)CCN2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N5O2/c1-11-9-12(18(19)20)13(15-10-11)16(2)7-8-17-5-3-14-4-6-17/h9-10,14H,3-8H2,1-2H3
InChIKeyAEJHQFPVHLBJCR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.64
Rot. Bonds5

About N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine

N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (PubChem CID 66278748) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
PubChem CID66278748
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
SMILESCc1cnc(N(C)CCN2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N5O2/c1-11-9-12(18(19)20)13(15-10-11)16(2)7-8-17-5-3-14-4-6-17/h9-10,14H,3-8H2,1-2H3
InChIKeyAEJHQFPVHLBJCR-UHFFFAOYSA-N
XLogP0.64
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.64
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-5-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 63266171
1-N-methyl-4-nitro-1-N-(2-piperazin-1-ylethyl)benzene-1,3-diamine
CID 106749826
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
2-methyl-3-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66280015
N,5-dimethyl-N-(2-piperazin-1-ylethyl)-1H-imidazol-2-amine
CID 106552628
1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
CID 66013026
N,2-dimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732502
1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazine
CID 2195581
2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
CID 117029360
N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 114900555
4,6-dimethyl-2-[methyl(2-piperazin-1-ylethyl)amino]pyridine-3-carboxamide
CID 63266338
6-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63266258

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The IUPAC name of N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine (CID 66278748) is N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is Cc1cnc(N(C)CCN2CCNCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
The InChIKey is AEJHQFPVHLBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-11-9-12(18(19)20)13(15-10-11)16(2)7-8-17-5-3-14-4-6-17/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine?
N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-nitro-N-(2-piperazin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 66278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).