4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid

C19H21FN2O2 — CID 58146946

IUPAC4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C19H21FN2O2/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)22-17-13-2-1-3-15(13)21-9-14(17)18(23)24/h1-2,9-12,16H,3-8H2,(H,21,22)(H,23,24)
InChIKeyHAAQAPJCEXLTEH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.68
Rot. Bonds3

About 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid

4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 58146946) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID58146946
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C19H21FN2O2/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)22-17-13-2-1-3-15(13)21-9-14(17)18(23)24/h1-2,9-12,16H,3-8H2,(H,21,22)(H,23,24)
InChIKeyHAAQAPJCEXLTEH-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid (CID 58146946) is 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cnc2c(c1NC1C3CC4CC1CC(F)(C4)C3)C=CC2.
What is the InChIKey of 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is HAAQAPJCEXLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)22-17-13-2-1-3-15(13)21-9-14(17)18(23)24/h1-2,9-12,16H,3-8H2,(H,21,22)(H,23,24).
What are the key properties of 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid?
4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 58146946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).