3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine

C15H24N4O2 — CID 57073623

IUPAC3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCCCC1CCCCN1
InChIInChI=1S/C15H24N4O2/c20-19(21)14-9-6-12-18-15(14)17-11-4-1-2-7-13-8-3-5-10-16-13/h6,9,12-13,16H,1-5,7-8,10-11H2,(H,17,18)
InChIKeyJAEALOLYKIJDTP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.10
Rot. Bonds8

About 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine

3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine (PubChem CID 57073623) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
PubChem CID57073623
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCCCC1CCCCN1
InChIInChI=1S/C15H24N4O2/c20-19(21)14-9-6-12-18-15(14)17-11-4-1-2-7-13-8-3-5-10-16-13/h6,9,12-13,16H,1-5,7-8,10-11H2,(H,17,18)
InChIKeyJAEALOLYKIJDTP-UHFFFAOYSA-N
XLogP3.10
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
3-methyl-N-(2-piperidin-2-ylethyl)pyridin-2-amine
CID 83837474
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine (CID 57073623) is 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCCCCC1CCCCN1.
What is the InChIKey of 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine?
The InChIKey is JAEALOLYKIJDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-19(21)14-9-6-12-18-15(14)17-11-4-1-2-7-13-8-3-5-10-16-13/h6,9,12-13,16H,1-5,7-8,10-11H2,(H,17,18).
What are the key properties of 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine?
3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine is sourced from PubChem (CID 57073623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).