2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H19N3O — CID 54949335

IUPAC2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CN(c2nc3c(cc2C#N)CCC3)C(C)CO1
InChIInChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-13(7-16)6-12-4-3-5-14(12)17-15/h6,10-11H,3-5,8-9H2,1-2H3
InChIKeyANKILSMGJHCCJG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.06
Rot. Bonds1

About 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 54949335) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID54949335
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CN(c2nc3c(cc2C#N)CCC3)C(C)CO1
InChIInChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-13(7-16)6-12-4-3-5-14(12)17-15/h6,10-11H,3-5,8-9H2,1-2H3
InChIKeyANKILSMGJHCCJG-UHFFFAOYSA-N
XLogP2.06
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 54949335) is 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC1CN(c2nc3c(cc2C#N)CCC3)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ANKILSMGJHCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-9-19-11(2)8-18(10)15-13(7-16)6-12-4-3-5-14(12)17-15/h6,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 54949335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).