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

C13H17N3O — CID 60980456

IUPAC2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOCCCNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C13H17N3O/c1-17-7-3-6-15-13-11(9-14)8-10-4-2-5-12(10)16-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWXZGBCUYKFSFHX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds5

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

2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60980456) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60980456
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOCCCNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C13H17N3O/c1-17-7-3-6-15-13-11(9-14)8-10-4-2-5-12(10)16-13/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWXZGBCUYKFSFHX-UHFFFAOYSA-N
XLogP1.89
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60980456) is 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is COCCCNc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is WXZGBCUYKFSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-7-3-6-15-13-11(9-14)8-10-4-2-5-12(10)16-13/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60980456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).