6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile

C14H20N4 — CID 133392311

IUPAC6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCCN1CCCC(CNc2cccc(C#N)n2)C1
InChIInChI=1S/C14H20N4/c1-2-18-8-4-5-12(11-18)10-16-14-7-3-6-13(9-15)17-14/h3,6-7,12H,2,4-5,8,10-11H2,1H3,(H,16,17)
InChIKeyYJZWCVXNUKJFNV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds4

About 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile

6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 133392311) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID133392311
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCCN1CCCC(CNc2cccc(C#N)n2)C1
InChIInChI=1S/C14H20N4/c1-2-18-8-4-5-12(11-18)10-16-14-7-3-6-13(9-15)17-14/h3,6-7,12H,2,4-5,8,10-11H2,1H3,(H,16,17)
InChIKeyYJZWCVXNUKJFNV-UHFFFAOYSA-N
XLogP2.10
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile (CID 133392311) is 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile is CCN1CCCC(CNc2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is YJZWCVXNUKJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-8-4-5-12(11-18)10-16-14-7-3-6-13(9-15)17-14/h3,6-7,12H,2,4-5,8,10-11H2,1H3,(H,16,17).
What are the key properties of 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile?
6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).