2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile

C13H17N5O2 — CID 63637867

IUPAC2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
SMILESCCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1
InChIInChI=1S/C13H17N5O2/c1-2-17(11-4-3-5-15-8-11)13-10(7-14)6-12(9-16-13)18(19)20/h6,9,11,15H,2-5,8H2,1H3
InChIKeySLJIHXWMNDEXCG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds4

About 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile

2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 63637867) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID63637867
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
SMILESCCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1
InChIInChI=1S/C13H17N5O2/c1-2-17(11-4-3-5-15-8-11)13-10(7-14)6-12(9-16-13)18(19)20/h6,9,11,15H,2-5,8H2,1H3
InChIKeySLJIHXWMNDEXCG-UHFFFAOYSA-N
XLogP1.44
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
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'}

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Related Compounds

5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile
CID 54860618
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile (CID 63637867) is 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile is CCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1.
What is the InChIKey of 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is SLJIHXWMNDEXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-17(11-4-3-5-15-8-11)13-10(7-14)6-12(9-16-13)18(19)20/h6,9,11,15H,2-5,8H2,1H3.
What are the key properties of 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile?
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 63637867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).