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

C14H19N3O — CID 115622839

IUPAC2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCC(O)CNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-2-4-12(18)9-16-14-11(8-15)7-10-5-3-6-13(10)17-14/h7,12,18H,2-6,9H2,1H3,(H,16,17)
InChIKeyNPSMSJMRJLLPOH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds5

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

2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 115622839) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID115622839
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCC(O)CNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-2-4-12(18)9-16-14-11(8-15)7-10-5-3-6-13(10)17-14/h7,12,18H,2-6,9H2,1H3,(H,16,17)
InChIKeyNPSMSJMRJLLPOH-UHFFFAOYSA-N
XLogP2.01
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 115622839) is 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCCC(O)CNc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NPSMSJMRJLLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-4-12(18)9-16-14-11(8-15)7-10-5-3-6-13(10)17-14/h7,12,18H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 115622839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).