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

C13H18N4 — CID 62924829

IUPAC4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCCN1CCC(Nc2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-2-17-7-4-11(5-8-17)16-12-3-6-15-13(9-12)10-14/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIWWNZXNORKQFLS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds3

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

4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 62924829) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
PubChem CID62924829
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCCN1CCC(Nc2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-2-17-7-4-11(5-8-17)16-12-3-6-15-13(9-12)10-14/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKeyIWWNZXNORKQFLS-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 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile (CID 62924829) is 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile is CCN1CCC(Nc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is IWWNZXNORKQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-17-7-4-11(5-8-17)16-12-3-6-15-13(9-12)10-14/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
4-[(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 4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62924829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).