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

C14H19N3O2 — CID 103990479

IUPAC2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCCOCCO)CCC2
InChIInChI=1S/C14H19N3O2/c15-10-12-9-11-3-1-4-13(11)17-14(12)16-5-2-7-19-8-6-18/h9,18H,1-8H2,(H,16,17)
InChIKeyQWQAUAVNULHSJG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.25
Rot. Bonds7

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

2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 103990479) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID103990479
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCCOCCO)CCC2
InChIInChI=1S/C14H19N3O2/c15-10-12-9-11-3-1-4-13(11)17-14(12)16-5-2-7-19-8-6-18/h9,18H,1-8H2,(H,16,17)
InChIKeyQWQAUAVNULHSJG-UHFFFAOYSA-N
XLogP1.25
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115585370
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 83039208
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279
2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106130351
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-[(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-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63830627

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 103990479) is 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCCCOCCO)CCC2.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QWQAUAVNULHSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-10-12-9-11-3-1-4-13(11)17-14(12)16-5-2-7-19-8-6-18/h9,18H,1-8H2,(H,16,17).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 103990479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).