3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine

C15H24N4O2 — CID 11361048

IUPAC3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCCCN1CCCCC1
InChIInChI=1S/C15H24N4O2/c20-19(21)14-8-7-10-17-15(14)16-9-3-1-4-11-18-12-5-2-6-13-18/h7-8,10H,1-6,9,11-13H2,(H,16,17)
InChIKeySYAXMJVKYQPPHC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.06
Rot. Bonds8

About 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine

3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine (PubChem CID 11361048) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
PubChem CID11361048
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCCCCN1CCCCC1
InChIInChI=1S/C15H24N4O2/c20-19(21)14-8-7-10-17-15(14)16-9-3-1-4-11-18-12-5-2-6-13-18/h7-8,10H,1-6,9,11-13H2,(H,16,17)
InChIKeySYAXMJVKYQPPHC-UHFFFAOYSA-N
XLogP3.06
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
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-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 133294018
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
CID 57073623
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine (CID 11361048) is 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCCCCN1CCCCC1.
What is the InChIKey of 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine?
The InChIKey is SYAXMJVKYQPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-19(21)14-8-7-10-17-15(14)16-9-3-1-4-11-18-12-5-2-6-13-18/h7-8,10H,1-6,9,11-13H2,(H,16,17).
What are the key properties of 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine?
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine is sourced from PubChem (CID 11361048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).