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

C13H20N4O2 — CID 54899460

IUPAC5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-11(16-7-3-2-4-8-16)9-14-13-6-5-12(10-15-13)17(18)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyYDBSPGZMGWAVEF-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds5

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

5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 54899460) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID54899460
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCC(CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c1-11(16-7-3-2-4-8-16)9-14-13-6-5-12(10-15-13)17(18)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyYDBSPGZMGWAVEF-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

4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
CID 94825522
6-(2-pyrrolidin-1-ylpropylamino)pyridine-3-carbonitrile
CID 113222141
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
CID 94178641
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003
2,4-dinitro-N-(2-pyrrolidin-1-ylpropyl)aniline
CID 112726808
5-nitro-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 124680383
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 113428773
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 54899460) is 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is CC(CNc1ccc([N+](=O)[O-])cn1)N1CCCCC1.
What is the InChIKey of 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is YDBSPGZMGWAVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-11(16-7-3-2-4-8-16)9-14-13-6-5-12(10-15-13)17(18)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,14,15).
What are the key properties of 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
5-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 5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 54899460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).