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

C20H24N2O — CID 58146328

IUPAC1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC13CC4CC(CC(C4)C1)C3)C=CC2
InChIInChI=1S/C20H24N2O/c1-12(23)17-11-21-18-4-2-3-16(18)19(17)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-3,11,13-15H,4-10H2,1H3,(H,21,22)
InChIKeySDACZLAIDZMFHV-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.23
Rot. Bonds3

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

1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone (PubChem CID 58146328) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
PubChem CID58146328
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2c(c1NC13CC4CC(CC(C4)C1)C3)C=CC2
InChIInChI=1S/C20H24N2O/c1-12(23)17-11-21-18-4-2-3-16(18)19(17)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-3,11,13-15H,4-10H2,1H3,(H,21,22)
InChIKeySDACZLAIDZMFHV-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone (CID 58146328) is 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone is CC(=O)c1cnc2c(c1NC13CC4CC(CC(C4)C1)C3)C=CC2.
What is the InChIKey of 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
The InChIKey is SDACZLAIDZMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-12(23)17-11-21-18-4-2-3-16(18)19(17)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-3,11,13-15H,4-10H2,1H3,(H,21,22).
What are the key properties of 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone?
1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone is sourced from PubChem (CID 58146328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).