5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile

C15H21N3O — CID 86779192

IUPAC5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile
SMILESCOCCC1(CNc2ccc(C#N)nc2)CCCC1
InChIInChI=1S/C15H21N3O/c1-19-9-8-15(6-2-3-7-15)12-18-14-5-4-13(10-16)17-11-14/h4-5,11,18H,2-3,6-9,12H2,1H3
InChIKeyJNIDKOHXVUMOSO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.96
Rot. Bonds6

About 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile

5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile (PubChem CID 86779192) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile
PubChem CID86779192
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile
SMILESCOCCC1(CNc2ccc(C#N)nc2)CCCC1
InChIInChI=1S/C15H21N3O/c1-19-9-8-15(6-2-3-7-15)12-18-14-5-4-13(10-16)17-11-14/h4-5,11,18H,2-3,6-9,12H2,1H3
InChIKeyJNIDKOHXVUMOSO-UHFFFAOYSA-N
XLogP2.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile (CID 86779192) is 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile is COCCC1(CNc2ccc(C#N)nc2)CCCC1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is JNIDKOHXVUMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-9-8-15(6-2-3-7-15)12-18-14-5-4-13(10-16)17-11-14/h4-5,11,18H,2-3,6-9,12H2,1H3.
What are the key properties of 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile?
5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 86779192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).