5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile

C13H18N4 — CID 79840147

IUPAC5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCCN1CCC(Nc2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H18N4/c1-2-17-7-5-11(6-8-17)16-13-4-3-12(9-14)15-10-13/h3-4,10-11,16H,2,5-8H2,1H3
InChIKeyQJRPEKADVMVAGH-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds3

About 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile

5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 79840147) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
PubChem CID79840147
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCCN1CCC(Nc2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H18N4/c1-2-17-7-5-11(6-8-17)16-13-4-3-12(9-14)15-10-13/h3-4,10-11,16H,2,5-8H2,1H3
InChIKeyQJRPEKADVMVAGH-UHFFFAOYSA-N
XLogP1.85
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile (CID 79840147) is 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile is CCN1CCC(Nc2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is QJRPEKADVMVAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17-7-5-11(6-8-17)16-13-4-3-12(9-14)15-10-13/h3-4,10-11,16H,2,5-8H2,1H3.
What are the key properties of 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79840147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).