4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile

C19H21N3O — CID 58146305

IUPAC4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C19H21N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-8H2,(H,21,22)
InChIKeyQHKQCPRSGZYCPZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.87
Rot. Bonds2

About 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile

4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 58146305) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID58146305
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C19H21N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-8H2,(H,21,22)
InChIKeyQHKQCPRSGZYCPZ-UHFFFAOYSA-N
XLogP2.87
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile (CID 58146305) is 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.
What is the InChIKey of 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QHKQCPRSGZYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-8H2,(H,21,22).
What are the key properties of 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile?
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 58146305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).