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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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).