6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile

C13H16N4O2 — CID 133499900

IUPAC6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCCC1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C13H16N4O2/c1-2-10-5-3-4-8-16(10)13-7-6-12(17(18)19)11(9-14)15-13/h6-7,10H,2-5,8H2,1H3
InChIKeyVIIGLISWWNBABN-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.63
Rot. Bonds3

About 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile

6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile (PubChem CID 133499900) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
PubChem CID133499900
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
SMILESCCC1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C13H16N4O2/c1-2-10-5-3-4-8-16(10)13-7-6-12(17(18)19)11(9-14)15-13/h6-7,10H,2-5,8H2,1H3
InChIKeyVIIGLISWWNBABN-UHFFFAOYSA-N
XLogP2.63
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
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

6-[2-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 615756
5-(2-ethylazepan-1-yl)-2-nitrobenzonitrile
CID 104689811
3-nitro-6-piperidin-1-ylpyridine-2-carbonitrile
CID 133499892
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986
6-(3-aminopiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103472225
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
3-(2-ethylpiperidin-1-yl)-4-nitrobenzoic acid
CID 82784363
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-[3-(1-aminoethyl)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472343
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile (CID 133499900) is 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile is CCC1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
The InChIKey is VIIGLISWWNBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-10-5-3-4-8-16(10)13-7-6-12(17(18)19)11(9-14)15-13/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile?
6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 133499900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).