1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone

C20H24N2O — CID 58146624

IUPAC1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC1C3CC4CC(C3)CC1C4)C=CC2
InChIInChI=1S/C20H24N2O/c1-11(23)17-10-21-18-4-2-3-16(18)20(17)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-3,10,12-15,19H,4-9H2,1H3,(H,21,22)
InChIKeySTAQDZDUVXXWBW-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.09
Rot. Bonds3

About 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone

1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone (PubChem CID 58146624) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
PubChem CID58146624
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC1C3CC4CC(C3)CC1C4)C=CC2
InChIInChI=1S/C20H24N2O/c1-11(23)17-10-21-18-4-2-3-16(18)20(17)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-3,10,12-15,19H,4-9H2,1H3,(H,21,22)
InChIKeySTAQDZDUVXXWBW-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone (CID 58146624) is 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone is CC(=O)c1cnc2c(c1NC1C3CC4CC(C3)CC1C4)C=CC2.
What is the InChIKey of 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The InChIKey is STAQDZDUVXXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-11(23)17-10-21-18-4-2-3-16(18)20(17)22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-3,10,12-15,19H,4-9H2,1H3,(H,21,22).
What are the key properties of 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone is sourced from PubChem (CID 58146624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).