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

C11H13N3O — CID 60980187

IUPAC2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCO)CCC2
InChIInChI=1S/C11H13N3O/c12-7-9-6-8-2-1-3-10(8)14-11(9)13-4-5-15/h6,15H,1-5H2,(H,13,14)
InChIKeyLQYXIWWOSZGUPJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.85
Rot. Bonds3

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

2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60980187) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60980187
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCO)CCC2
InChIInChI=1S/C11H13N3O/c12-7-9-6-8-2-1-3-10(8)14-11(9)13-4-5-15/h6,15H,1-5H2,(H,13,14)
InChIKeyLQYXIWWOSZGUPJ-UHFFFAOYSA-N
XLogP0.85
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103990479
2-(2-ethylsulfinylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115627399
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115585370
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106171457
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279
2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63830627
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55082442

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60980187) is 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCCO)CCC2.
What is the InChIKey of 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is LQYXIWWOSZGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-9-6-8-2-1-3-10(8)14-11(9)13-4-5-15/h6,15H,1-5H2,(H,13,14).
What are the key properties of 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60980187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).