3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine

C12H19N5O2 — CID 43443436

IUPAC3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCCN1CCNCC1
InChIInChI=1S/C12H19N5O2/c18-17(19)12-10-14-4-2-11(12)15-3-1-7-16-8-5-13-6-9-16/h2,4,10,13H,1,3,5-9H2,(H,14,15)
InChIKeyDBKUZWGMBSESTM-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.70
Rot. Bonds6

About 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine

3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine (PubChem CID 43443436) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
PubChem CID43443436
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCCCN1CCNCC1
InChIInChI=1S/C12H19N5O2/c18-17(19)12-10-14-4-2-11(12)15-3-1-7-16-8-5-13-6-9-16/h2,4,10,13H,1,3,5-9H2,(H,14,15)
InChIKeyDBKUZWGMBSESTM-UHFFFAOYSA-N
XLogP0.70
TPSA83.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
5-chloro-2-nitro-N-(3-piperazin-1-ylpropyl)aniline
CID 115471810
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
CID 47092350
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
4-chloro-5-fluoro-2-nitro-N-(3-piperazin-1-ylpropyl)aniline
CID 66078394
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
N-ethyl-N-[3-[(3-nitro-4-pyridinyl)amino]propyl]methanesulfonamide
CID 51892002

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine (CID 43443436) is 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine is O=[N+]([O-])c1cnccc1NCCCN1CCNCC1.
What is the InChIKey of 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
The InChIKey is DBKUZWGMBSESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-17(19)12-10-14-4-2-11(12)15-3-1-7-16-8-5-13-6-9-16/h2,4,10,13H,1,3,5-9H2,(H,14,15).
What are the key properties of 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine?
3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine is sourced from PubChem (CID 43443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).