2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol

C21H26N2O2 — CID 90338583

IUPAC2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C21H26N2O2/c24-13-12-15-8-10-16(11-9-15)22-20-14-21(25-17-4-1-2-5-17)23-19-7-3-6-18(19)20/h8-11,14,17,24H,1-7,12-13H2,(H,22,23)
InChIKeyQQPQZWNCMXKVSA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.17
Rot. Bonds6

About 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol

2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol (PubChem CID 90338583) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
PubChem CID90338583
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C21H26N2O2/c24-13-12-15-8-10-16(11-9-15)22-20-14-21(25-17-4-1-2-5-17)23-19-7-3-6-18(19)20/h8-11,14,17,24H,1-7,12-13H2,(H,22,23)
InChIKeyQQPQZWNCMXKVSA-UHFFFAOYSA-N
XLogP4.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol (CID 90338583) is 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol is OCCc1ccc(Nc2cc(OC3CCCC3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
The InChIKey is QQPQZWNCMXKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-13-12-15-8-10-16(11-9-15)22-20-14-21(25-17-4-1-2-5-17)23-19-7-3-6-18(19)20/h8-11,14,17,24H,1-7,12-13H2,(H,22,23).
What are the key properties of 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol?
2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol has a molecular weight of 338.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanol is sourced from PubChem (CID 90338583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).