3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

C13H20N4O2 — CID 54899365

IUPAC3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-11(16-8-3-2-4-9-16)10-15-13-12(17(18)19)6-5-7-14-13/h5-7,11H,2-4,8-10H2,1H3,(H,14,15)
InChIKeyZYSXLHZRMUJEHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds5

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

3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 54899365) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID54899365
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ncccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-11(16-8-3-2-4-9-16)10-15-13-12(17(18)19)6-5-7-14-13/h5-7,11H,2-4,8-10H2,1H3,(H,14,15)
InChIKeyZYSXLHZRMUJEHK-UHFFFAOYSA-N
XLogP2.28
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitropyridin-2-amine
CID 42892028
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-fluoro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 55111712
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
3-methylsulfonyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 114598706
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 63966801
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 54899365) is 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is CC(CNc1ncccc1[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is ZYSXLHZRMUJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-11(16-8-3-2-4-9-16)10-15-13-12(17(18)19)6-5-7-14-13/h5-7,11H,2-4,8-10H2,1H3,(H,14,15).
What are the key properties of 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 54899365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).