4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

C20H26N2O2 — CID 58146456

IUPAC4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESCC(O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C20H26N2O2/c1-11(23)16-10-21-17-4-2-3-15(17)19(16)22-18-13-5-12-6-14(18)9-20(24,7-12)8-13/h2-3,10-14,18,23-24H,4-9H2,1H3,(H,21,22)
InChIKeyGAXAFRUGYQHVGB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.06
Rot. Bonds3

About 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (PubChem CID 58146456) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
PubChem CID58146456
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESCC(O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C20H26N2O2/c1-11(23)16-10-21-17-4-2-3-15(17)19(16)22-18-13-5-12-6-14(18)9-20(24,7-12)8-13/h2-3,10-14,18,23-24H,4-9H2,1H3,(H,21,22)
InChIKeyGAXAFRUGYQHVGB-UHFFFAOYSA-N
XLogP3.06
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (CID 58146456) is 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is CC(O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.
What is the InChIKey of 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The InChIKey is GAXAFRUGYQHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-11(23)16-10-21-17-4-2-3-15(17)19(16)22-18-13-5-12-6-14(18)9-20(24,7-12)8-13/h2-3,10-14,18,23-24H,4-9H2,1H3,(H,21,22).
What are the key properties of 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-hydroxyethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 58146456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).