5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine

C15H22N4O3 — CID 133305273

IUPAC5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(CC3CCOC3)CC2)nc1
InChIInChI=1S/C15H22N4O3/c20-19(21)14-1-2-15(16-9-14)17-13-3-6-18(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13H,3-8,10-11H2,(H,16,17)
InChIKeyZLCZLDCDODWIFM-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.90
Rot. Bonds5

About 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine

5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 133305273) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
PubChem CID133305273
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(CC3CCOC3)CC2)nc1
InChIInChI=1S/C15H22N4O3/c20-19(21)14-1-2-15(16-9-14)17-13-3-6-18(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13H,3-8,10-11H2,(H,16,17)
InChIKeyZLCZLDCDODWIFM-UHFFFAOYSA-N
XLogP1.90
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.90
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'}

Analyze 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
5-nitro-N-[(3S)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 96519854
5-nitro-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 56806094
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-nitropyridin-2-amine
CID 47054301
5-nitro-N-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 71986749
2-(4-nitrophenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]ethanone
CID 96529063

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine (CID 133305273) is 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine is O=[N+]([O-])c1ccc(NC2CCN(CC3CCOC3)CC2)nc1.
What is the InChIKey of 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is ZLCZLDCDODWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-19(21)14-1-2-15(16-9-14)17-13-3-6-18(7-4-13)10-12-5-8-22-11-12/h1-2,9,12-13H,3-8,10-11H2,(H,16,17).
What are the key properties of 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine?
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 133305273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).