6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine

C13H17N3O2 — CID 112749867

IUPAC6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(C2=CCCC2)n1
InChIInChI=1S/C13H17N3O2/c1-2-9-14-12-8-7-11(16(17)18)13(15-12)10-5-3-4-6-10/h5,7-8H,2-4,6,9H2,1H3,(H,14,15)
InChIKeyGVMMZLOIMLJMAE-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.38
Rot. Bonds5

About 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine

6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine (PubChem CID 112749867) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine
PubChem CID112749867
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(C2=CCCC2)n1
InChIInChI=1S/C13H17N3O2/c1-2-9-14-12-8-7-11(16(17)18)13(15-12)10-5-3-4-6-10/h5,7-8H,2-4,6,9H2,1H3,(H,14,15)
InChIKeyGVMMZLOIMLJMAE-UHFFFAOYSA-N
XLogP3.38
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
CID 102838567
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
6-[2-(cyclopenten-1-yl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578069
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine (CID 112749867) is 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(C2=CCCC2)n1.
What is the InChIKey of 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine?
The InChIKey is GVMMZLOIMLJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-9-14-12-8-7-11(16(17)18)13(15-12)10-5-3-4-6-10/h5,7-8H,2-4,6,9H2,1H3,(H,14,15).
What are the key properties of 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine?
6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 112749867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).