2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol

C21H20ClN3O — CID 90338523

IUPAC2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cn1
InChIInChI=1S/C21H20ClN3O/c22-15-4-1-3-14(11-15)20-12-21(18-5-2-6-19(18)25-20)24-17-8-7-16(9-10-26)23-13-17/h1,3-4,7-8,11-13,26H,2,5-6,9-10H2,(H,24,25)
InChIKeyKZRIKIPWCYFZDQ-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.56
Rot. Bonds5

About 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol

2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol (PubChem CID 90338523) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol
PubChem CID90338523
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol
SMILESOCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cn1
InChIInChI=1S/C21H20ClN3O/c22-15-4-1-3-14(11-15)20-12-21(18-5-2-6-19(18)25-20)24-17-8-7-16(9-10-26)23-13-17/h1,3-4,7-8,11-13,26H,2,5-6,9-10H2,(H,24,25)
InChIKeyKZRIKIPWCYFZDQ-UHFFFAOYSA-N
XLogP4.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol?
The IUPAC name of 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol (CID 90338523) is 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol is OCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cn1.
What is the InChIKey of 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol?
The InChIKey is KZRIKIPWCYFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-15-4-1-3-14(11-15)20-12-21(18-5-2-6-19(18)25-20)24-17-8-7-16(9-10-26)23-13-17/h1,3-4,7-8,11-13,26H,2,5-6,9-10H2,(H,24,25).
What are the key properties of 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol?
2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol has a molecular weight of 365.86 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 90338523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).